methyl 5-(2-methylpropyl)-2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-8279 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C19 H18 N2 O4 S2 |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(C2=Cc3ccccc3C(=O)S2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7937 |
| logD: | 4.6022 |
| logSw: | -4.5611 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.314 |
| InChI Key: | HJACNJVOGFMUEF-UHFFFAOYSA-N |