N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0463 |
| Compound Name: | N-(2-hydroxy-5-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 305.29 |
| Molecular Formula: | C13 H15 N5 O4 |
| Smiles: | Cc1ccc(c(c1)NC(CCCn1cnc(n1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.3164 |
| logD: | 0.3161 |
| logSw: | -2.083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.613 |
| InChI Key: | YMWSXFWBHOQTEU-UHFFFAOYSA-N |