4-{[4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-2699 |
| Compound Name: | 4-{[4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C15 H13 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8946 |
| logD: | -1.7122 |
| logSw: | -2.3785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.444 |
| InChI Key: | NJHMLOWAEDELEO-UHFFFAOYSA-N |