5-(3,5-difluoro-benzenesulfonyl)-3-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoylamino]-6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1CN1C(=O)c3ccccc3C1=O)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C- InChIKey
JGXVRVKYHPYAPR-UHFFFAOYSA-N- 분자식
- C32H27F2N5O7S
- 평균 분자량
- 663.6 g/mol
이름 및 식별자
- 우선 이름
- 5-(3,5-difluoro-benzenesulfonyl)-3-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoylamino]-6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-(3,5-difluorophenyl)sulfonyl-3-[[2-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-2-carboxylate
이름 및 동의어
SCHEMBL1370499JGXVRVKYHPYAPR-UHFFFAOYSA-N5-(3,5-difluoro-benzenesulfonyl)-3-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoylamino]-6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 67008747
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,330
관련 반응
5건
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