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

HCID 59077586
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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]1CNC1CC1
InChIKey
HINFTRBUSSPRCE-PPEIKGMUSA-N
분자식
C33H36Cl2N4O4S
평균 분자량
655.6 g/mol

이름 및 식별자

우선 이름
3-[1-{4-[3-((s)-2-Cyclopropylaminomethyl-pyrrolidin-1-yl)-3-oxo-propyl]-3,5-dimethyl-1h-pyrrol-2-yl}-meth-(z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one
IUPAC
(3Z)-3-[[4-[3-[(2S)-2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[(2,6-dichlorophenyl)methylsulfonyl]-1H-indol-2-one

이름 및 동의어

SCHEMBL142448HINFTRBUSSPRCE-PPEIKGMUSA-N3-[1-{4-[3-((s)-2-cyclopropylaminomethyl-pyrrolidin-1-yl)-3-oxo-propyl]-3,5-dimethyl-1h-pyrrol-2-yl }-meth-(z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one3-[1-{4-[3-((s)-2-cyclopropylaminomethyl-pyrrolidin-1-yl)-3-oxo-propyl]-3,5-dimethyl-1h-pyrrol-2-yl}-meth-(z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one

데이터베이스 식별자

PubChem CID
59077586

물성

구조 계산 물성

XLogP
4.8
극성 표면적
120 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
44

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