(S)-5-(4-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl)-2-fluorobenzamide
기본 정보
- 표준 SMILES
NC(=O)c1cc(-c2cnc(N3CCC(=O)CC3)nc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)ccc1F- InChIKey
PSZSMNVWBVDPNK-DEOSSOPVSA-N- 분자식
- C34H28F9N7O3
- 평균 분자량
- 753.6 g/mol
이름 및 식별자
- 우선 이름
- (S)-5-(4-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl)-2-fluorobenzamide
- IUPAC
- 5-[4-[(1S)-1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]-2-fluorobenzamide
이름 및 동의어
(S)-5-(4-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl)-2-fluorobenzamideSCHEMBL15875423
데이터베이스 식별자
- PubChem CID
- 90281442
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,320
관련 반응
2건
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