2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-5887 |
| Compound Name: | 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C22 H20 F N3 O2 S |
| Smiles: | C(c1ccccc1)NC(CSc1c(cccn1)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.175 |
| logD: | 3.1749 |
| logSw: | -3.6821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.031 |
| InChI Key: | NWLZRHVSEVEMHR-UHFFFAOYSA-N |