4-{[1-(4-bromophenyl)-4-(ethoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[1-(4-bromophenyl)-4-(ethoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[1-(4-bromophenyl)-4-(ethoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4031-0376 |
| Compound Name: | 4-{[1-(4-bromophenyl)-4-(ethoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C22 H18 Br N O5 |
| Smiles: | CCOC(C1/C(=C/c2ccc(cc2)C(O)=O)C(N(C=1C)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6245 |
| logD: | 1.0176 |
| logSw: | -4.3237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.487 |
| InChI Key: | BCRIGRIWWPGFOV-UHFFFAOYSA-N |