N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0462 |
| Compound Name: | N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C12 H13 N5 O4 |
| Smiles: | C(CC(Nc1cccc(c1)O)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.059 |
| logD: | 0.0521 |
| logSw: | -1.9474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.379 |
| InChI Key: | SEPNQLJSZWWRHV-UHFFFAOYSA-N |