N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-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-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-1340 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 499.39 |
| Molecular Formula: | C21 H19 Br N6 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCc1nc(CSc2nnc(c3ccccc3)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.162 |
| logD: | 2.9613 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.957 |
| InChI Key: | RCSQMHGSXPRZSZ-UHFFFAOYSA-N |