N-[(3,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C201-1919 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H27 F N4 O3 S |
| Smiles: | COc1ccc(CNC(C2CCN(CC2)c2ccc(nn2)Sc2cccc(c2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7261 |
| logD: | 3.726 |
| logSw: | -3.9678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.661 |
| InChI Key: | JCULKDXGEGJYKT-UHFFFAOYSA-N |