N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E009-0114 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C27 H29 N5 O S |
| Smiles: | CSc1cccc(c1)NC(C1CCN(CC1)Cc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7162 |
| logD: | 1.3488 |
| logSw: | -4.1992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.919 |
| InChI Key: | AQRJTZDFWMTSNN-UHFFFAOYSA-N |