3-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
3-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4999 |
| Compound Name: | 3-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 360.82 |
| Molecular Formula: | C16 H13 Cl N4 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCc1c(cccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3235 |
| logD: | 4.3235 |
| logSw: | -4.4739 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.131 |
| InChI Key: | BTLXPJZBHOYIJH-UHFFFAOYSA-N |