[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-[(1S,5R)-6-(3-hydroxy-pyrrolidine-1-carbonyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-methanone

HCID 57670049
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기본 정보

표준 SMILES
CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1C[C@@H]2C(C(=O)N3CCC(O)C3)[C@@H]2C1
InChIKey
RTIJGIMTASCQMZ-DLKQULOKSA-N
분자식
C39H45Cl2N5O4
평균 분자량
718.7 g/mol
단동위원소 질량
717.2848603

이름 및 식별자

우선 이름
[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-[(1S,5R)-6-(3-hydroxy-pyrrolidine-1-carbonyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-methanone
IUPAC
[(1S,5R)-3-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-(3-hydroxypyrrolidin-1-yl)methanone

이름 및 동의어

SCHEMBL4157741RTIJGIMTASCQMZ-DLKQULOKSA-N[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-[(1S,5R)-6-(3-hydroxy-pyrrolidine-1-carbonyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-methanone

데이터베이스 식별자

PubChem CID
57670049

물성

구조 계산 물성

XLogP
5.7
극성 표면적
98.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
50

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