기본 정보
- CAS
1414642-93-5- 표준 SMILES
O=C(CNC(=O)c1sc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2)NCC(F)F- InChIKey
OFGKIOOXISVXEC-NRFANRHFSA-N- 분자식
- C22H17Cl2F6N3O3S
- 평균 분자량
- 588.3 g/mol
- 단동위원소 질량
- 587.0271869
개요
Mivorilaner is a small molecule drug. Mivorilaner has a monoisotopic molecular weight of 587.03 Da.
이름 및 식별자
- 우선 이름
- Mivorilaner
- IUPAC
- 1-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2,2-difluoroethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxamide
- 영어명
- (S)-3-[5-(3,5-dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid [(2,2-difluoro-ethylcarbamoyl)-methyl]-amide
- 분자식
- C22H17Cl2F6N3O3S
- 분자량
- 588.35
이름 및 동의어
Mivorilaner1414642-93-5Itabh-19-01Mivorilaner [USAN]XN7QGY28HMLY3116151LY-3116151MIVORILANER [INN]3-((5S)-5-(3,5-Dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-((2,2-difluoroethyl)amino)-2-oxoethyl)-5,6-dihydro-4H-cyclopenta(C)thiophene-1-carboxamide4H-Cyclopenta(C)thiophene-1-carboxamide, 3-((5S)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-((2,2-difluoroethyl)amino)-2-oxoethyl)-5,6-dihydro-3-[(5S)-5-(3,5-Dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-[(2,2-difluoroethyl)amino]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxamideRefChem:159133
이름 더 보기
3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(2,2-difluoroethylamino)-2-oxoethyl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxamide4H-Cyclopenta[c]thiophene-1-carboxamide, 3-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-[(2,2-difluoroethyl)amino]-2-oxoethyl]-5,6-dihydro-
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 903
물리화학적 성질
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.05 · 13.05±0.46(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사6 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
安世达（山东）新材料科技有限公司18053179586 · [email protected]
德州博腾精细化工有限公司[email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
上海瑞昶医药科技有限公司18621054990 · [email protected]
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