Diethyl [3-methoxy-4-({4-[(7-methoxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate
기본 정보
- 표준 SMILES
CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(OC)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC- InChIKey
VLCKMGJZQKSYSD-UHFFFAOYSA-N- 분자식
- C27H31F3N5O6P
- 평균 분자량
- 609.5 g/mol
이름 및 식별자
- 우선 이름
- Diethyl [3-methoxy-4-({4-[(7-methoxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate
- IUPAC
- 7-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methoxy-2-methyl-3H-isoindol-1-one
이름 및 동의어
Diethyl [3-methoxy-4-({4-[(7-methoxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonateSCHEMBL2052771Diethyl[3-methoxy-4-({4-[(7-methoxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate
데이터베이스 식별자
- PubChem CID
- 58292956
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 940
관련 반응
3건
화합물 노트
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