methyl 2-{2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
methyl 2-{2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-6176 |
| Compound Name: | methyl 2-{2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H20 N2 O7 S |
| Smiles: | Cc1c(C(=O)OC)nc(NC(COc2cc(c3C(CC(C)(C)Oc3c2)=O)O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7994 |
| logD: | 2.743 |
| logSw: | -3.1882 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.735 |
| InChI Key: | BXEVQTQILHNRNA-UHFFFAOYSA-N |