(Rac.)-5-{[4-(3-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}isoquinolin-1(2h)-one
기본 정보
- 표준 SMILES
COc1c(C(C)(C)CC(O)(C=Nc2cccc3c(=O)[nH]ccc23)C(F)(F)F)ccc(C)c1Cl- InChIKey
MLVYIWPYBMVDMO-UHFFFAOYSA-N- 분자식
- C24H24ClF3N2O3
- 평균 분자량
- 480.9 g/mol
- 단동위원소 질량
- 480.1427548
이름 및 식별자
- 우선 이름
- (Rac.)-5-{[4-(3-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}isoquinolin-1(2h)-one
- IUPAC
- 5-[[4-(3-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one
이름 및 동의어
(rac.)-5-{[4-(3-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}isoquinolin-1(2h)-oneSCHEMBL331914(rac.)-5-{[4-(3- Chloro-2-methoxy-4-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}isoquinolin-1(2H)-one
데이터베이스 식별자
- PubChem CID
- 66657368
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 70.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 773
관련 반응
2건
화합물 노트
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