기본 정보
- CAS
840498-67-1- 표준 SMILES
COc1ccc(CCn2c(=N)c(C(=O)NCc3cccnc3)cc3c(=O)n4cccc(C)c4nc32)cc1- InChIKey
WMKBBWXQNFSSNO-UHFFFAOYSA-N- 분자식
- C28H26N6O3
- 평균 분자량
- 494.5 g/mol
- 단동위원소 질량
- 494.20663871
이름 및 식별자
- 우선 이름
- 6-Imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- IUPAC
- 6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- 영어명
- 2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(pyridin-3-ylmethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide
- 분자식
- C28H26N6O3
- 분자량
- 494.54
이름 및 동의어
840498-67-16-Imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideTCMDC-1244701,5-Dihydro-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(3-pyridinylmethyl)-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide6-Imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideCHEMBL547443EBC-47506MMV667488NSC766786STK706994AKOS005179790NSC-766786
이름 더 보기
2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(pyridin-3-ylmethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide1,5-Dihydro-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(3-pyridinylmethyl)-2H-dipyrido[1,2-a:2′,3′-d]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1,5-dihydro-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-N-(3-pyridinylmethyl)-
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.7 · 10.70±0.20(Predicted)
화학 및 산업
공급사3 곳
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