1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazole
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazole
1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazole
Compound characteristics
| Compound ID: | 8016-3430 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-tetrazole |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C18 H15 F N8 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c(nnn1)Sc1nc(nn1Cc1ccccc1F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6052 |
| logD: | 4.6052 |
| logSw: | -4.4822 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.565 |
| InChI Key: | FCHLGCOVFJWNJK-UHFFFAOYSA-N |