N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methylbenzamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L150-0125 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-4-methylbenzamide |
| Molecular Weight: | 403.3 |
| Molecular Formula: | C17 H15 Br N4 O S |
| Smiles: | Cc1ccc(cc1)C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0207 |
| logD: | 4.0207 |
| logSw: | -4.0861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.986 |
| InChI Key: | NCMKVKWGVOGSHK-UHFFFAOYSA-N |