1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine

HCID 69955259

기본 정보

표준 SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4nccn4Cc4ccccc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC
InChIKey
CEZXWYZHBNVKMO-UHFFFAOYSA-N
분자식
C45H49F2N7O4
평균 분자량
789.9 g/mol
단동위원소 질량
789.38140939

이름 및 식별자

우선 이름
1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine
IUPAC
[3-[2-[4-[[1-[(1-benzylimidazol-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

이름 및 동의어

SCHEMBL6993632CEZXWYZHBNVKMO-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(1-benzyl-1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine

데이터베이스 식별자

PubChem CID
69955259

물성

구조 계산 물성

XLogP
7.2
극성 표면적
98.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
14
무거운 원자 수
58

관련 반응

4건

연결된 노트

불러오는 중…