methyl 5-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F602-1034 |
| Compound Name: | methyl 5-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C27 H36 N4 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCCN(C1)C(c1c(C)c(C(=O)OC)c(C)[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5904 |
| logD: | 3.5903 |
| logSw: | -3.9345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.583 |
| InChI Key: | JTJPSQINKJZINJ-NRFANRHFSA-N |