N-[(3-methoxyphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
N-[(3-methoxyphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E009-0117 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 469.59 |
| Molecular Formula: | C28 H31 N5 O2 |
| Smiles: | COc1cccc(CNC(C2CCN(CC2)Cc2cnn(c3ccccc3)c2n2cccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0414 |
| logD: | 0.5578 |
| logSw: | -3.9495 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.785 |
| InChI Key: | IZQXXQUGYOHPJN-UHFFFAOYSA-N |