5-(2,6-Difluoro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
기본 정보
- 표준 SMILES
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(F)cccc4F)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1- InChIKey
CZOPNCRTEVEJAP-SSHUPFPWSA-N- 분자식
- C32H34F2N4O4S
- 평균 분자량
- 608.7 g/mol
이름 및 식별자
- 우선 이름
- 5-(2,6-Difluoro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
- IUPAC
- (3Z)-5-[(2,6-difluorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
이름 및 동의어
SCHEMBL142206CZOPNCRTEVEJAP-SSHUPFPWSA-N5-(2,6-difluoro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 59077502
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,180
관련 반응
1건
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