N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2250 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C16 H16 Cl F N6 O2 S |
| Smiles: | CCc1nnc([nH]1)SCc1nc(CCC(Nc2ccc(cc2F)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.455 |
| logD: | 2.1206 |
| logSw: | -3.4171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.521 |
| InChI Key: | SKWJIUJKSUMTDF-UHFFFAOYSA-N |