기본 정보
- CAS
477848-50-3- 표준 SMILES
O=C(C1CC(c2c(Cl)cccc2Cl)=NO1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
MKKARSMKFKMISE-UHFFFAOYSA-N- 분자식
- C20H16Cl3F3N4O2
- 평균 분자량
- 507.7 g/mol
- 단동위원소 질량
- 506.029093
이름 및 식별자
- 우선 이름
- [4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
- IUPAC
- [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
- 영어명
- (4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)[3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
- 분자식
- C20H16Cl3F3N4O2
- 분자량
- 507.72
이름 및 동의어
477848-50-3[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazineDTXSID801105524AKOS005076123{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}[3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]methanone10P-996(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(3-(2,6-dichlorophenyl)-4,5-dihydroisoxazol-5-yl)methanone[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]methanone(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)[3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]methanoneMethanone, [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]-
데이터베이스 식별자
- CAS
477848-50-3
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 58 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 711
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