기본 정보
- CAS
263842-70-2- 표준 SMILES
Cc1cc(SC2=C(O)CC(CCc3ccccc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1- InChIKey
DSOKKNCTLHKLIN-UHFFFAOYSA-N- 분자식
- C34H38F3NO5S2
- 평균 분자량
- 661.8 g/mol
- 단동위원소 질량
- 661.21435015
이름 및 식별자
- 우선 이름
- (+-)-Benzenesulfonamide, N-(4-((5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-4-(trifluoromethyl)-
- IUPAC
- N-[5-tert-butyl-4-[[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide
이름 및 동의어
263842-70-2(+-)-Benzenesulfonamide, N-(4-((5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-4-(trifluoromethyl)-RefChem:203688CHEMBL263026Dihydropyran-2-one deriv. 27DTXSID20949245(+/-)-Benzenesulfonamide, N-[4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-4-(trifluoromethyl)-N-(5-tert-Butyl-4-{[6-hydroxy-4-oxo-2-(2-phenylethyl)-2-(propan-2-yl)-3,4-dihydro-2H-pyran-5-yl]sulfanyl}-2-methylphenyl)-4-(trifluoromethyl)benzene-1-sulfonamideN-[5-tert-butyl-4-[(4-hydroxy-2-isopropyl-6-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide
데이터베이스 식별자
- CAS
263842-70-2- PubChem CID
- 54688463
- DTXSID
DTXSID20949245- ChEMBL
CHEMBL263026
물성
구조 계산 물성
- XLogP
- 9.3
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,160
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