methyl 4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4207-3563 |
| Compound Name: | methyl 4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3cccc(c3)[Br])c2C)C(N1C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.512 |
| logD: | 3.512 |
| logSw: | -3.6291 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.812 |
| InChI Key: | NPGGAKOJVGBFGE-UHFFFAOYSA-N |