3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
Compound ID: | K277-0123 |
Compound Name: | 3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate |
Molecular Weight: | 391.44 |
Molecular Formula: | C22 H17 N O4 S |
Smiles: | CC(=O)Oc1ccc2C=C(C(=O)Oc2c1)c1nc(c2ccc(C)cc2)c(C)s1 |
Stereo: | ACHIRAL |
logP: | 4.7107 |
logD: | 4.7107 |
logSw: | -4.6368 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.144 |
InChI Key: | WRYLHPGQJPNLMB-UHFFFAOYSA-N |