N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-3-carboxamide
N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E009-1000F |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-3-carboxamide |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | Cc1ccc(CNC(C2CCCN(C2)Cc2cnn(c3ccccc3)c2n2cccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3474 |
| logD: | 2.5236 |
| logSw: | -3.9282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.174 |
| InChI Key: | OXWJJWSYTHJQNV-DEOSSOPVSA-N |