methyl 4-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4207-3560 |
| Compound Name: | methyl 4-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 405.28 |
| Molecular Formula: | C20 H18 Cl2 N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccc(c(c3)[Cl])[Cl])c2C)C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0979 |
| logD: | 4.0453 |
| logSw: | -4.3566 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.701 |
| InChI Key: | IHPRUDTWXNOQBA-UHFFFAOYSA-N |