Diethyl (4-{[4-{[7-(cis-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
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기본 정보
- 표준 SMILES
CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(O)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC- InChIKey
POEWDFKLTPRGIT-UHFFFAOYSA-N- 분자식
- C32H39F3N5O6P
- 평균 분자량
- 677.6 g/mol
이름 및 식별자
- 우선 이름
- Diethyl (4-{[4-{[7-(cis-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
- IUPAC
- 7-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-(4-hydroxycyclohexyl)-2-methyl-3H-isoindol-1-one
이름 및 동의어
Diethyl (4-{[4-{[7-(cis-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonateSCHEMBL2033498SCHEMBL2034082POEWDFKLTPRGIT-UPDYAAQLSA-Ndiethyl (4-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonatediethyl(4-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
데이터베이스 식별자
- PubChem CID
- 49822428
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
4건
화합물 노트
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