(+-)-Acetamide, N-(4-(((4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-methyl-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)amino)sulfonyl)phenyl)-
기본 정보
- CAS
263842-64-4- 표준 SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(SC3=C(O)CC(C)(CCc4ccc(O)cc4)OC3=O)cc2C)cc1- InChIKey
BBHSHMYWLLAEAQ-UHFFFAOYSA-N- 분자식
- C33H38N2O7S2
- 평균 분자량
- 638.8 g/mol
- 단동위원소 질량
- 638.2120439
이름 및 식별자
- 우선 이름
- (+-)-Acetamide, N-(4-(((4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-methyl-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)amino)sulfonyl)phenyl)-
- IUPAC
- N-[4-[[5-tert-butyl-4-[[4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]sulfamoyl]phenyl]acetamide
이름 및 동의어
263842-64-4(+-)-Acetamide, N-(4-(((4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-methyl-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)amino)sulfonyl)phenyl)-RefChem:203681CHEMBL92476Dihydropyran-2-one deriv. 20DTXSID20949240(+/-)-Acetamide, N-[4-[[[4-[[5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-methyl-2-oxo-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]amino]sulfonyl]phenyl]-N-(4-{[5-tert-Butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl]sulfamoyl}phenyl)ethanimidic acidN-[4-[[5-tert-butyl-4-[[4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]sulfamoyl]phenyl]acetamide
데이터베이스 식별자
- CAS
263842-64-4- PubChem CID
- 54688095
- DTXSID
DTXSID20949240- ChEMBL
CHEMBL92476
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,160
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