N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8015-0857 |
| Compound Name: | N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 324.32 |
| Molecular Formula: | C11 H12 N6 O4 S |
| Smiles: | Cn1c(nnn1)SCC(NCc1cc(ccc1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4407 |
| logD: | 0.2207 |
| logSw: | -2.2205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.711 |
| InChI Key: | MIDDVTRLGAUQFF-UHFFFAOYSA-N |