4-bromo-N-{1-[5-{[(2-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{1-[5-{[(2-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
4-bromo-N-{1-[5-{[(2-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V004-0306 |
| Compound Name: | 4-bromo-N-{1-[5-{[(2-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide |
| Molecular Weight: | 552.45 |
| Molecular Formula: | C25 H22 Br N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1C)NC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1009 |
| logD: | 6.1008 |
| logSw: | -5.5333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.942 |
| InChI Key: | DKPGXVNQTZSQDL-KRWDZBQOSA-N |