AD 5075

HCID 128440CAS 103788-05-2

基本情報

標準SMILES: Cc1oc(-c2ccccc2)nc1C(O)COc1ccc(CC2SC(=O)NC2=O)cc1
InChIKey: YVQKIDLSVHRBGZ-UHFFFAOYSA-N
分子式: C22H20N2O5S
平均分子量: 424.5 g/mol

名称と識別子

優先名称: AD 5075
IUPAC: 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

名称と別名

103788-05-2AD-5075AD50755-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneAD 50752,4-Thiazolidinedione, 5-((4-(2-hydroxy-2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)methyl)-5-((4-(2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)phenyl)methyl)-1,3-thiazolidine-2,4-dioneRefChem:9151302,4-Thiazolidinedione,5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-5-(4-(2-(5-Methyl-2-phenyl-4-oxazolyl)-2-hydroxyethoxy)benzyl)-2,4-thiazolidinedioneYVQKIDLSVHRBGZ-UHFFFAOYSA-N[3H]AD5075

名称をさらに表示

[3H]-AD5075CHEMBL88496SCHEMBL131888GTPL2701GTPL2702orb1698750DTXSID00908597EX-A11923

データベース識別子

CAS: 103788-05-2
PubChem CID: 128440
DTXSID: DTXSID00908597
ChEMBL: CHEMBL88496
Nikkaji: J460.685J

物性

構造計算による物性

XLogP: 3.4
極性表面積: 127 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 30
形式電荷: 0
複雑度: 606