3-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
Chemical Structure Depiction of
3-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
3-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
Compound characteristics
| Compound ID: | 8016-3810 |
| Compound Name: | 3-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | Cn1c(c2cccc(c2)[N+]([O-])=O)nnc1SC1CCOC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9824 |
| logD: | 1.9818 |
| logSw: | -2.4827 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.778 |
| InChI Key: | LLEUYJBAUOMGLO-JTQLQIEISA-N |