4-{[4-(methoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(methoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(methoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5641-0363 |
| Compound Name: | 4-{[4-(methoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C19 H21 N O5 |
| Smiles: | CC(C)CN1C(C)=C(/C(=C/c2ccc(cc2)C(O)=O)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3332 |
| logD: | -0.2736 |
| logSw: | -3.2879 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.79 |
| InChI Key: | BVJMLDKUCLEGQT-UHFFFAOYSA-N |