2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

HCID 68524910
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기본 정보

표준 SMILES
Cc1c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4F)c32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2
InChIKey
VKCMOPKWAWGRCG-UHFFFAOYSA-N
분자식
C31H32F2N4O2
평균 분자량
530.6 g/mol

이름 및 식별자

우선 이름
2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
IUPAC
2-[[4-(2,3-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-piperidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one

이름 및 동의어

SCHEMBL3136552VKCMOPKWAWGRCG-UHFFFAOYSA-N2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

데이터베이스 식별자

PubChem CID
68524910

물성

구조 계산 물성

XLogP
4.7
극성 표면적
68.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
39

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2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-piperidin-1-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one (HCID 68524910)｜Huagongshe