ethyl 5-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 5-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2988 |
| Compound Name: | ethyl 5-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Smiles: | CCOC(C1=C(C)NC(=C/c2cc(C)n(c3cccc(c3)[Br])c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 4.5022 |
| logSw: | -4.3226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.729 |
| InChI Key: | BVTKRSYEKYDULX-UHFFFAOYSA-N |