기본 정보
- CAS
263842-59-7- 표준 SMILES
Cc1cc(SC2=C(O)C[C@@](CCc3ccc(O)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1- InChIKey
IWGCWLPKGZMQET-YTTGMZPUSA-N- 분자식
- C33H37F3N2O6S2
- 평균 분자량
- 678.8 g/mol
- 단동위원소 질량
- 678.20451374
이름 및 식별자
- 우선 이름
- 2-Pyridinesulfonamide, N-(4-(((6S)-5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-5-(trifluoromethyl)-
- IUPAC
- N-[5-tert-butyl-4-[[(2S)-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
이름 및 동의어
263842-59-72-Pyridinesulfonamide, N-(4-(((6S)-5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-5-(trifluoromethyl)-DTXSID901809812-Pyridinesulfonamide, N-[4-[[(6S)-5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-5-(trifluoromethyl)-RefChem:266652DTXCID30103472CHEMBL2110203(S)-N-(5-(tert-Butyl)-4-((4-hydroxy-6-(4-hydroxyphenethyl)-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)thio)-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamideDihydropyran-2-one deriv. 72N-(5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamideN-[5-tert-butyl-4-[[(2S)-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-6-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
데이터베이스 식별자
- CAS
263842-59-7
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,210
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