3-{[(4-butoxy-3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-butoxy-3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-{[(4-butoxy-3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 3973-0442 |
| Compound Name: | 3-{[(4-butoxy-3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C13 H16 N4 O3 S |
| Smiles: | CCCCOc1ccc(CSc2nnc[nH]2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4317 |
| logD: | 2.0554 |
| logSw: | -2.734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.977 |
| InChI Key: | XELLERCMSGNUTL-UHFFFAOYSA-N |