기본 정보
- 표준 SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)N(c1ccccc1)c1ccccc1- InChIKey
ZNDMQPOHVJZVMB-UHFFFAOYSA-N- 분자식
- C45H44FN3O4
- 평균 분자량
- 709.8 g/mol
이름 및 식별자
- 우선 이름
- 5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide
- IUPAC
- 1-[3,5-dihydroxy-7-oxo-7-(N-phenylanilino)heptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
이름 및 동의어
ZNDMQPOHVJZVMB-UHFFFAOYSA-N1-[(3R,5R)-6-(diphenylcarbamoyl)-3,5-dihydroxyhexyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide5- (4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino) carbonyl]-1H-pyrrole- 1-heptanamide5-(4-fluorophenyl) -beta,delta-dihydroxy -2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole- 1-heptanamide5-(4-fluorophenyl)-beta,delta-dihydroxy-2-(1-methylethyl)-N,N,4-triphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanamide
데이터베이스 식별자
- PubChem CID
- 19006358
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
8건
화합물 노트
불러오는 중…