Ethyl cis-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylate
기본 정보
- 표준 SMILES
CCOC(=O)C1CCC(c2ccc(Nc3nc(Nc4ccc(CP(=O)(OCC)OCC)cc4OC)ncc3C(F)(F)F)c3c(=O)c(C)c[nH]c23)CC1- InChIKey
VFHMGTFCNRSSQV-UHFFFAOYSA-N- 분자식
- C36H43F3N5O7P
- 평균 분자량
- 745.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl cis-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylate
- IUPAC
- ethyl 4-[5-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methyl-4-oxo-1H-quinolin-8-yl]cyclohexane-1-carboxylate
이름 및 동의어
Ethyl cis-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylateSCHEMBL2030105SCHEMBL2030107SCHEMBL2030194VFHMGTFCNRSSQV-UHFFFAOYSA-NEthyl trans-4-(5-{[2-({4-[(diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxo-1,4-dihydroquinolin-8-yl)cyclohexanecarboxylate
데이터베이스 식별자
- PubChem CID
- 58292929
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,280
관련 반응
2건
화합물 노트
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