3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
기본 정보
- CAS
1031247-35-4- 표준 SMILES
COc1cc2c(cc1OC)C1=NC(=O)C(CC3CCCCC3)N1C(SCc1ccccc1C(F)(F)F)=N2- InChIKey
RTGFKCUIBSBSHR-UHFFFAOYSA-N- 분자식
- C27H28F3N3O3S
- 평균 분자량
- 531.6 g/mol
이름 및 식별자
- 우선 이름
- 3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
- IUPAC
- 3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
- 영어명
- 3-(Cyclohexylmethyl)-8,9-dimethoxy-5-([2-(trifluoromethyl)benzyl]sulfanyl)imidazo[1,2-c]quinazolin-2(3H)-one
- 분자식
- C27H28F3N3O3S
- 분자량
- 531.59
이름 및 동의어
1031247-35-43-(cyclohexylmethyl)-8,9-dimethoxy-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one3-(cyclohexylmethyl)-8,9-dimethoxy-5-{[2-(trifluoromethyl)benzyl]sulfanyl}imidazo[1,2-c]quinazolin-2(3H)-one3-(cyclohexylmethyl)-8,9-dimethoxy-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-2H,3H-imidazo[1,2-c]quinazolin-2-oneAKOS0050986656R-03253-(Cyclohexylmethyl)-8,9-dimethoxy-5-((2-(trifluoromethyl)benzyl)thio)imidazo[1,2-c]quinazolin-2(3H)-one3-(Cyclohexylmethyl)-8,9-dimethoxy-5-([2-(trifluoromethyl)benzyl]sulfanyl)imidazo[1,2-c]quinazolin-2(3H)-oneImidazo[1,2-c]quinazolin-2(3H)-one, 3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[[2-(trifluoromethyl)phenyl]methyl]thio]-
데이터베이스 식별자
- CAS
1031247-35-4
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 88.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 892
물리화학적 성질
- 끓는 점
- 620.9 · 620.9±65.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.93 · -1.93±0.40(Predicted)
관련 반응
0건
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