기본 정보
- 표준 SMILES
COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1- InChIKey
JKHYOWBRQRJSTQ-OAQYLSRUSA-N- 분자식
- C26H23F3N2O3
- 평균 분자량
- 468.5 g/mol
이름 및 식별자
- 우선 이름
- (r)-6-Methyl-4'-trifluoromethylbiphenyl-2-carboxylic acid (2-methoxycarbonylaminoindan-5-yl)-amide
- IUPAC
- methyl N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
이름 및 동의어
CHEMBL423915256397-11-2(r)-6-methyl-4'-trifluoromethylbiphenyl-2-carboxylic acid (2-methoxycarbonylaminoindan-5-yl)-amideorb3136887SCHEMBL4785948BDBM50107789PD129853T212506(r)-6-methyl-4'-trifluoromethyl-1,1'-biphenyl-2-carboxylic acid (2-methoxycarbonylaminoindan-5-yl)-amide(R)-Methyl (5-(6-methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-yl)carbamate(R)-methyl 5-(6-methyl-4''-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate
데이터베이스 식별자
- PubChem CID
- 9869236
- ChEMBL
CHEMBL423915- Nikkaji
- J3.731.588E
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 723
관련 반응
5건
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