methyl 4-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4207-3624 |
| Compound Name: | methyl 4-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C25 H27 Cl N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccccc3[Cl])c2C)C(N1CC1CCCO1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4225 |
| logD: | 3.4225 |
| logSw: | -3.644 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.129 |
| InChI Key: | NSPRFPULOPZELK-LJQANCHMSA-N |