N-(1,1'-Biphenyl-4-yl)-N'-(3-{[2-({6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)ethoxy]-methyl}phenyl)urea

HCID 66845484

기본 정보

표준 SMILES
CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4cccc(NC(=O)Nc5ccc(-c6ccccc6)cc5)c4)C(=O)O3)ccc2O1
InChIKey
VNBUEHACWAJASD-LHEWISCISA-N
분자식
C41H47N3O7
평균 분자량
693.8 g/mol

이름 및 식별자

우선 이름
N-(1,1'-Biphenyl-4-yl)-N'-(3-{[2-({6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)ethoxy]-methyl}phenyl)urea
IUPAC
1-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]-3-(4-phenylphenyl)urea

이름 및 동의어

SCHEMBL925849VNBUEHACWAJASD-LHEWISCISA-NN-(1,1'-Biphenyl-4-yl)-N'-(3-{[2-({6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)ethoxy]-methyl}phenyl)ureaN-(1,1'-Biphenyl-4-yl)-N'-(3-{[2-({6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)ethoxy]methyl}phenyl)urea

데이터베이스 식별자

PubChem CID
66845484

물성

구조 계산 물성

XLogP
6.4
극성 표면적
108 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
16
무거운 원자 수
51

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