4-{[4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4257-4396 |
| Compound Name: | 4-{[4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C22 H19 N O6 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1c1ccc(cc1)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2006 |
| logD: | -0.4062 |
| logSw: | -3.2022 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.451 |
| InChI Key: | NXNACGQUHGSGII-UHFFFAOYSA-N |