2-methylpropyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D103-1491 |
| Compound Name: | 2-methylpropyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(CC)ccc2O1)=O)=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0996 |
| logD: | 4.1219 |
| logSw: | -4.9555 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.9 |
| InChI Key: | IDWUYTLVRDUOPT-UHFFFAOYSA-N |