N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | C328-0251 |
| Compound Name: | N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C18 H21 F N4 O3 S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(CNC(c2ccccc2F)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1849 |
| logD: | 2.1848 |
| logSw: | -2.8408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.138 |
| InChI Key: | YLZKJWLWGMPSCB-UHFFFAOYSA-N |