4-({4-(methoxycarbonyl)-5-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-(methoxycarbonyl)-5-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
4-({4-(methoxycarbonyl)-5-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 4693-0815 |
| Compound Name: | 4-({4-(methoxycarbonyl)-5-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C23 H21 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1Cc1ccc(C)cc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1173 |
| logD: | 0.5105 |
| logSw: | -4.1969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.519 |
| InChI Key: | FMRHWUYWMASAFV-UHFFFAOYSA-N |