methyl 2,4-dimethyl-5-(4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2,4-dimethyl-5-(4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
methyl 2,4-dimethyl-5-(4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0187 |
| Compound Name: | methyl 2,4-dimethyl-5-(4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C28 H38 N4 O4 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CC1CCN(CC1)C(c1c(C)c(C(=O)OC)c(C)[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7613 |
| logD: | 3.7611 |
| logSw: | -4.1215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.642 |
| InChI Key: | QOBBJKSIIGVHDE-IBGZPJMESA-N |