4-{[4-(ethoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(ethoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(ethoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5641-0657 |
| Compound Name: | 4-{[4-(ethoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C20 H23 N O5 |
| Smiles: | CCOC(C1/C(=C/c2ccc(cc2)C(O)=O)C(N(CC(C)C)C=1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9055 |
| logD: | 0.2987 |
| logSw: | -4.0311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.37 |
| InChI Key: | VCAXJJYXYYTEEN-UHFFFAOYSA-N |