N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Chemical Structure Depiction of
N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Compound characteristics
| Compound ID: | C798-1126 |
| Compound Name: | N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide |
| Molecular Weight: | 545.72 |
| Molecular Formula: | C31 H36 F N5 O S |
| Smiles: | C1CN(CCC1CNC(CCSCc1cnn(c2ccccc2)c1n1cccc1)=O)CCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5026 |
| logD: | 3.0217 |
| logSw: | -5.6369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.006 |
| InChI Key: | QWCYZSAOUDYILC-UHFFFAOYSA-N |