3-benzyl-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-benzyl-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-0283 |
| Compound Name: | 3-benzyl-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 374.85 |
| Molecular Formula: | C17 H15 Cl N4 O2 S |
| Smiles: | Cn1c(Cc2ccccc2)nnc1SCc1c(cccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0614 |
| logD: | 4.0614 |
| logSw: | -4.2556 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.108 |
| InChI Key: | YOIXHWGJQYEVGM-UHFFFAOYSA-N |