기본 정보
- 표준 SMILES
CCOP(=O)(Cc1cnc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(O)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC- InChIKey
JGTIUQYOTBASLU-UHFFFAOYSA-N- 분자식
- C31H38F3N6O6P
- 평균 분자량
- 678.6 g/mol
- 단동위원소 질량
- 678.25425444
이름 및 식별자
- 우선 이름
- Diethyl [(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-5-methoxypyridin-3-yl)methyl]phosphonate
- IUPAC
- 7-[[2-[[5-(diethoxyphosphorylmethyl)-3-methoxy-2-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-(4-hydroxycyclohexyl)-2-methyl-3H-isoindol-1-one
이름 및 동의어
Diethyl [(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-5-methoxypyridin-3-yl)methyl]phosphonateSCHEMBL2032758JGTIUQYOTBASLU-UHFFFAOYSA-NDiethyl[(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-5-methoxypyridin-3-yl)methyl]phosphonate
데이터베이스 식별자
- PubChem CID
- 58292994
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,080
관련 반응
1건
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