4-{[4-(ethoxycarbonyl)-5-methyl-3-oxo-1,3-dihydro-2H-pyrrol-2-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(ethoxycarbonyl)-5-methyl-3-oxo-1,3-dihydro-2H-pyrrol-2-ylidene]methyl}benzoic acid
4-{[4-(ethoxycarbonyl)-5-methyl-3-oxo-1,3-dihydro-2H-pyrrol-2-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4693-0278 |
| Compound Name: | 4-{[4-(ethoxycarbonyl)-5-methyl-3-oxo-1,3-dihydro-2H-pyrrol-2-ylidene]methyl}benzoic acid |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C16 H15 N O5 |
| Smiles: | [H]N1C(=C\c2ccc(cc2)C(O)=O)\C(C(=C1C)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7827 |
| logD: | -0.8241 |
| logSw: | -3.1093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.472 |
| InChI Key: | KJJNUHQGDBEHIK-UHFFFAOYSA-N |