5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{3,5-dimethyl-4-[3-oxo-3-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-propyl]-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one

HCID 59077723
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기본 정보

표준 SMILES
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1CCC(=O)N1CCC[C@@H]1CN1CCCC1
InChIKey
IVINEMPWODARPP-FELXSTKCSA-N
분자식
C34H38Cl2N4O4S
평균 분자량
669.7 g/mol

이름 및 식별자

우선 이름
5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{3,5-dimethyl-4-[3-oxo-3-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-propyl]-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
IUPAC
(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[3-oxo-3-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

이름 및 동의어

SCHEMBL145998IVINEMPWODARPP-FELXSTKCSA-N5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-{3,5-dimethyl-4-[3-oxo-3-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-propyl]-1h-pyrrol-2-yl }-meth-(z)-ylidene]-1,3-dihydro-indol-2-one5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-{3,5-dimethyl-4-[3-oxo-3-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-propyl]-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one

데이터베이스 식별자

PubChem CID
59077723

물성

구조 계산 물성

XLogP
5.2
극성 표면적
111 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
45

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