N-(3-Aminophenyl)-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 66845582

기본 정보

표준 SMILES
CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4cccc(NC(=O)Nc5cccc(N)c5)c4)C(=O)O3)ccc2O1
InChIKey
FAPCKWZDOKHEIU-YTTGMZPUSA-N
분자식
C35H44N4O7
평균 분자량
632.7 g/mol
단동위원소 질량
632.32099976

이름 및 식별자

우선 이름
N-(3-Aminophenyl)-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-aminophenyl)-3-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]urea

이름 및 동의어

SCHEMBL926127FAPCKWZDOKHEIU-YTTGMZPUSA-NN-(3-aminophenyl)-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-(3-Aminophenyl)-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-(3-Aminophenyl)-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-(3-aminophenyl)-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
66845582

물성

구조 계산 물성

XLogP
4
극성 표면적
134 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
15
무거운 원자 수
46

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