1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
기본 정보
- CAS
915924-44-6- 표준 SMILES
CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(F)cc1- InChIKey
GUXNDAIKJRTPCA-UHFFFAOYSA-N- 분자식
- C21H21FN4OS
- 평균 분자량
- 396.5 g/mol
- 단동위원소 질량
- 396.14201064
이름 및 식별자
- 우선 이름
- 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
- IUPAC
- 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
이름 및 동의어
915924-44-6ZINC135195771-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-[[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]ethanoneDTXSID901112281MFCD09039683STK289096AKOS0006342101-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoneZINC000013519577CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)F1(34dihydro1Hisoquinolin2yl)2((4ethyl5(4fluorophenyl)124triazol3yl)sulfanyl)ethanone1(34dihydroisoquinolin2(1H)yl)2((4ethyl5(4fluorophenyl)4H124triazol3yl)sulfanyl)ethanone
이름 더 보기
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone1-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one2-({[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)-1,2,3,4-tetrahydroisoquinoline
데이터베이스 식별자
- CAS
915924-44-6- PubChem CID
- 16489710
- DTXSID
DTXSID901112281
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 76.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 531
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…