2-((3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylazetidin-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamide
기본 정보
- 표준 SMILES
Cn1nc(NS(C)(=O)=O)c2cccc(-c3ccc(N4CC(C)(O)C4)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21- InChIKey
XDOHIGGVKMYVME-GVAUOCQISA-N- 분자식
- C36H34F6N8O4S
- 평균 분자량
- 788.8 g/mol
이름 및 식별자
- 우선 이름
- 2-((3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylazetidin-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamide
- IUPAC
- 2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-[3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]ethyl]acetamide
이름 및 동의어
2-((3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-hydroxy-3-methylazetidin-1-yl)-3-(1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamideSCHEMBL15875388
데이터베이스 식별자
- PubChem CID
- 90281416
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,530
관련 반응
1건
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