rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl ester

HCID 53247233
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIKey
SYOWVURPWUTZFO-LBNVMWSVSA-N
분자식
C32H38Cl2FN3O4
평균 분자량
618.6 g/mol

이름 및 식별자

우선 이름
rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl ester
IUPAC
(4-fluorophenyl) N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-(2-methylpropyl)carbamate

이름 및 동의어

SCHEMBL1988853CHEMBL3944417SYOWVURPWUTZFO-LBNVMWSVSA-NBDBM233199US9346786, 3rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl esterrac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isobutyl-carbamic acid 4-fluoro-phenyl ester

데이터베이스 식별자

PubChem CID
53247233
ChEMBL
CHEMBL3944417

물성

구조 계산 물성

XLogP
6.2
극성 표면적
70.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
42

관련 반응

1건
반응 기록 만들기

연결된 노트

불러오는 중…