2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | 8015-0897 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C16 H15 N5 O5 S |
| Smiles: | Cn1c(c2ccco2)nnc1SCC(NCc1cc(ccc1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.451 |
| logD: | 1.231 |
| logSw: | -2.2628 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.03 |
| InChI Key: | JWYQLOQPTAROON-UHFFFAOYSA-N |