[(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-((S)-3-methoxy-pyrrolidine-1-carbonyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-methanone

HCID 57670108
노트반응
부분 구조 검색유사 구조 찾기

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)N3CC[C@H](OC)C3)[C@@H]2C1
InChIKey
LSXYWWIFXGDLFS-JKUXZXAOSA-N
분자식
C40H47Cl2N5O4
평균 분자량
732.7 g/mol
단동위원소 질량
731.3005104

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-((S)-3-methoxy-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]-[(3S)-3-methoxypyrrolidin-1-yl]methanone

이름 및 동의어

SCHEMBL4159294LSXYWWIFXGDLFS-JKUXZXAOSA-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-((S)-3-methoxy-pyrrolidine-1-carbonyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-methanone

데이터베이스 식별자

PubChem CID
57670108

물성

구조 계산 물성

XLogP
6.3
극성 표면적
87.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
51

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…