ethyl 2-[(5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
ethyl 2-[(5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1575 |
| Compound Name: | ethyl 2-[(5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O)c1c(C(=O)OCC)c(cs1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9034 |
| logD: | 5.3942 |
| logSw: | -5.5458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.424 |
| InChI Key: | LKTSFCVQDNOKNX-UHFFFAOYSA-N |