N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C201-1912 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C24 H23 F N4 O3 S |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)c1ccc(nn1)Sc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.0242 |
| logD: | 4.0242 |
| logSw: | -4.0818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.516 |
| InChI Key: | CAQFHVNCLOUREO-UHFFFAOYSA-N |