methyl 1-(4-bromophenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(4-bromophenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(4-bromophenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2898 |
| Compound Name: | methyl 1-(4-bromophenyl)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C22 H18 Br N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(=O)OC)C(N1c1ccc(cc1)[Br])=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2947 |
| logD: | 4.2947 |
| logSw: | -4.4608 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.673 |
| InChI Key: | LJPDDJBIDWOIET-UHFFFAOYSA-N |