N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E009-0084 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | Cc1ccc(CNC(C2CCN(CC2)Cc2cnn(c3ccccc3)c2n2cccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3675 |
| logD: | 0.8839 |
| logSw: | -3.9329 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.241 |
| InChI Key: | MEEHHWYASOVBPS-UHFFFAOYSA-N |