2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
Chemical Structure Depiction of
2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
Compound characteristics
| Compound ID: | L150-0007 |
| Compound Name: | 2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline |
| Molecular Weight: | 375.29 |
| Molecular Formula: | C16 H15 Br N4 S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Br])Sc2ccccc2N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1247 |
| logD: | 4.1247 |
| logSw: | -4.2813 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.131 |
| InChI Key: | NXRRDYDXPIJLFE-UHFFFAOYSA-N |