기본 정보
- CAS
338961-99-2- 표준 SMILES
O=C(NNC(=O)C1=NOC(CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1- InChIKey
WXOOKKXNXFRLGZ-UHFFFAOYSA-N- 분자식
- C26H24ClF4N7O5S
- 평균 분자량
- 658 g/mol
이름 및 식별자
- 우선 이름
- 5-{[N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)4-fluorobenzenesulfonamido]methyl}-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide
- IUPAC
- 1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylurea
- 영어명
- 2-([5-(((2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)[(4-fluorophenyl)sulfonyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-N-phenyl-1-hydrazinecarboxamide
- 분자식
- C26H24ClF4N7O5S
- 분자량
- 658.02
이름 및 동의어
338961-99-25-{[N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)4-fluorobenzenesulfonamido]methyl}-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide2-((5-(((2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)amino)ethyl)((4-fluorophenyl)sulfonyl)amino)methyl)-4,5-dihydro-3-isoxazolyl)carbonyl)-N-phenyl-1-hydrazinecarboxamide1-[[5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-phenylureaAKOS0050941255L-9202-([5-(((2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)[(4-fluorophenyl)sulfonyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-N-phenyl-1-hydrazinecarboxamide3-Isoxazolecarboxylic acid, 5-[[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl][(4-fluorophenyl)sulfonyl]amino]methyl]-4,5-dihydro-, 2-[(phenylamino)carbonyl]hydrazide
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,120
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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