HIT ID: HIT212669291
Cas No: 229961-45-9
分子式: C28H24O2S
分子量: 424.56
常用名: AGN 194310
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 7.518265
IUPAC: 4-{2-[4-(4-ethylphenyl)-2,2-dimethyl-2H-thiochromen-6-yl]ethynyl}benzoic acid
IUPAC: 4-{2-[4-(4-ethylphenyl)-2,2-dimethyl-2H-thiochromen-6-yl]ethynyl}benzoic acid
SMILES: CCc1ccc(cc1)C1=CC(C)(C)Sc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9|
SMILES: CCc1ccc(cc1)C1=CC(C)(C)Sc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9|
InChI key: LHUPKWKWYWOMSK-UHFFFAOYSA-N
