4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(2-methylpropoxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline
기본 정보
- 표준 SMILES
COc1ccc(COC2CC(C)(C)Cc3nc(C4CCN(c5ncc(COCC(C)C)cn5)CC4)c(C(F)c4ccc(C(F)(F)F)cc4)c(C4CCC(F)(F)CC4)c32)cc1- InChIKey
JQCSLBIKFDQKFM-UHFFFAOYSA-N- 분자식
- C47H56F6N4O3
- 평균 분자량
- 839 g/mol
- 단동위원소 질량
- 838.42566063
이름 및 식별자
- 우선 이름
- 4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(2-methylpropoxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline
- IUPAC
- 4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-2-[1-[5-(2-methylpropoxymethyl)pyrimidin-2-yl]piperidin-4-yl]-6,8-dihydro-5H-quinoline
이름 및 동의어
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(2-methylpropoxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinolineSCHEMBL14892876
데이터베이스 식별자
- PubChem CID
- 86682441
물성
구조 계산 물성
- XLogP
- 10.3
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
2건
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