5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1-methyl-1H-tetrazole
Chemical Structure Depiction of
5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1-methyl-1H-tetrazole
5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1-methyl-1H-tetrazole
Compound characteristics
| Compound ID: | 8016-1357 |
| Compound Name: | 5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1-methyl-1H-tetrazole |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C11 H9 F N8 O2 S |
| Smiles: | Cn1c(nnn1)Sc1nc(nn1Cc1ccccc1F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7063 |
| logD: | 1.7063 |
| logSw: | -2.087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.987 |
| InChI Key: | XYMLKUFLZHUUCR-UHFFFAOYSA-N |