(6S)-2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
870005-19-9- 표준 SMILES
CCNC(=O)c1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)[C@@H](C)CN(CC)C3=O- InChIKey
DNABWGUFTZTVKA-NSHDSACASA-N- 분자식
- C22H23ClFN5O4
- 평균 분자량
- 475.9 g/mol
- 단동위원소 질량
- 475.1422601
이름 및 식별자
- 우선 이름
- (6S)-2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
- IUPAC
- (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-N,11-diethyl-8-hydroxy-13-methyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide
- 영어명
- MK-2048
- 분자식
- C22H23ClFN5O4
- 분자량
- 475.9
이름 및 동의어
(6S)-2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide2V3GK8VNG6(13S)-5-[(3-chloro-4-fluorophenyl)methyl]-N,11-diethyl-8-hydroxy-13-methyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide(6s)-2-((3-Chloro-4-fluorophenyl)methyl)-n,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide(6S)-2-((3-Chloro-4-fluorophenyl)methyl)-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxopyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide(6S)-2-[(3-Chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxopyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamidePyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide, 2-((3-chloro-4-fluorophenyl)methyl)-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-, (6S)-Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, 2-[(3-chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-, (6S)-UNII-2V3GK8VNG6AKOS025149886PD118145DB-076813
이름 더 보기
CS-235MK-2048(6S)-2-[(3-Chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl(6S)-2-[(3-chloro-4-fluorophenyl)Methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-Methyl-1,9-dioxo-(6S)-2-[(3-Chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxam
(6S)-2-[(3-Chloro-4-fluorophenyl)methyl]-N,8-diethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-6-methyl-1,9-dioxo-pyrazino[1,2:1,5]pyrrolo[2,3-d]pyridazine-4-carboxam(6S)-2-[(3-Chloro-4-fluorophenyl)methyl]-N,8-diethyl-10-hydroxy-6-methyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
데이터베이스 식별자
- CAS
870005-19-9- PubChem CID
- 56841816
- DTXSID
DTXSID10236050- UNII
- 2V3GK8VNG6
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 844
물리화학적 성질
- 녹는점
- 240 °C · >240°C (dec.)
- 밀도
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 6.52 · 6.52±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 노란색
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…