4-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
기본 정보
- CAS
337920-37-3- 표준 SMILES
CN(C)c1nc(Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c(C#N)c(=O)o1- InChIKey
KOMJRSCCMPLSPA-UHFFFAOYSA-N- 분자식
- C19H13ClF3N5O3
- 평균 분자량
- 451.8 g/mol
이름 및 식별자
- 우선 이름
- 4-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
- IUPAC
- 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
- 영어명
- 4-(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
- 분자식
- C19H13ClF3N5O3
- 분자량
- 451.79
이름 및 동의어
337920-37-34-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile4-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile4-((4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)amino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrileAKOS00507485510H-9554-(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile6H-1,3-Oxazine-5-carbonitrile, 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]-2-(dimethylamino)-6-oxo-
데이터베이스 식별자
- CAS
337920-37-3
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 99.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 799
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