diethyl (4-{[4-({6-[1-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
기본 정보
- 표준 SMILES
CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(C(C)(C)CCO)c4)nc3C(=O)NC)n2)c(OC)c1)OCC- InChIKey
LTVQCHUPDKOOJE-UHFFFAOYSA-N- 분자식
- C32H40F3N8O6P
- 평균 분자량
- 720.7 g/mol
이름 및 식별자
- 우선 이름
- diethyl (4-{[4-({6-[1-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
- IUPAC
- 3-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-6-[1-(4-hydroxy-2-methylbutan-2-yl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
이름 및 동의어
diethyl (4-{[4-({6-[1-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrazol-4-yl]-2-(methylcarbamoyl)pyridin-3-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
데이터베이스 식별자
- PubChem CID
- 86697785
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
2건
화합물 노트
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