ethyl 2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1022 |
| Compound Name: | ethyl 2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1c(C(=O)OCC)c(cs1)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.654 |
| logD: | 5.1448 |
| logSw: | -5.5327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.424 |
| InChI Key: | DRQGONTYYZOTDX-UHFFFAOYSA-N |