N-(4-bromo-3-methylphenyl)-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-bromo-3-methylphenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2218 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 451.34 |
| Molecular Formula: | C17 H19 Br N6 O2 S |
| Smiles: | CCc1nnc([nH]1)SCc1nc(CCC(Nc2ccc(c(C)c2)[Br])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.0077 |
| logD: | 2.6733 |
| logSw: | -3.1733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.219 |
| InChI Key: | HYUQUBJODGRSNC-UHFFFAOYSA-N |