N-(3-bromophenyl)-3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(3-bromophenyl)-3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | J021-2689 |
| Compound Name: | N-(3-bromophenyl)-3-[3-({[5-(2-methylphenyl)-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: | Cc1ccccc1c1nnc([nH]1)SCc1nc(CCC(Nc2cccc(c2)[Br])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9587 |
| logD: | 2.4174 |
| logSw: | -4.0261 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.957 |
| InChI Key: | WHCRIQXBZYJZTK-UHFFFAOYSA-N |