(1r,2r)-2-Phenyl-cyclopropanecarboxylic acid [2-(3-dimethylaminomethyl-phenyl)-6-oxo-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl]-amide

HCID 136141630

기본 정보

표준 SMILES
CN(C)Cc1cccc(-c2[nH]c3cc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc4c3c2C=NNC4=O)c1
InChIKey
NVTYHWVEKYEMAW-FCHUYYIVSA-N
분자식
C29H27N5O2
평균 분자량
477.6 g/mol
단동위원소 질량
477.21647512

이름 및 식별자

우선 이름
(1r,2r)-2-Phenyl-cyclopropanecarboxylic acid [2-(3-dimethylaminomethyl-phenyl)-6-oxo-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl]-amide
IUPAC
trans-(1R,2R)-N-[2-[3-[(dimethylamino)methyl]phenyl]-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]-2-phenylcyclopropane-1-carboxamide

이름 및 동의어

SCHEMBL5860874NVTYHWVEKYEMAW-FCHUYYIVSA-N(1r,2r)-2-phenyl-cyclopropanecarboxylic acid [2-(3-dimethylaminomethyl-phenyl)-6-oxo-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl]-amide(1r,2r)-2-phenyl-cyclopropanecarboxylic acid[2-(3-dimethylaminomethyl-phenyl)-6-oxo-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl]-amide

데이터베이스 식별자

PubChem CID
136141630

물성

구조 계산 물성

XLogP
3.4
극성 표면적
89.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
36

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