N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-methylbenzamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | F938-0167 |
| Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-4-methylbenzamide |
| Molecular Weight: | 493.42 |
| Molecular Formula: | C24 H21 Br N4 O S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Br])Sc2ccccc2NC(c2ccc(C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.029 |
| logD: | 6.029 |
| logSw: | -5.5676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.428 |
| InChI Key: | JELAHMHMSMFJAO-UHFFFAOYSA-N |