(S)-4-(2-(3-(N-(tert-butoxycarbonyl)-N-methylsulfamoyl)thiophene-2-carbonyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy) phenyl)ethyl)-3,5-dichloropyridine 1-oxide
기본 정보
- 표준 SMILES
CN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccsc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1- InChIKey
MBAIGBCVCFKNCY-QFIPXVFZSA-N- 분자식
- C29H30Cl2F2N2O9S2
- 평균 분자량
- 723.6 g/mol
이름 및 식별자
- 우선 이름
- (S)-4-(2-(3-(N-(tert-butoxycarbonyl)-N-methylsulfamoyl)thiophene-2-carbonyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy) phenyl)ethyl)-3,5-dichloropyridine 1-oxide
- IUPAC
- [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]thiophene-2-carboxylate
이름 및 동의어
(S)-4-(2-(3-(N-(tert-butoxycarbonyl)-N-methylsulfamoyl)thiophene-2-carbonyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy) phenyl)ethyl)-3,5-dichloropyridine 1-oxide
데이터베이스 식별자
- PubChem CID
- 86703840
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,150
관련 반응
1건
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