N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0493 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 369.76 |
| Molecular Formula: | C14 H16 Cl N5 O5 |
| Smiles: | COc1cc(c(cc1NC(CCCn1cnc(n1)[N+]([O-])=O)=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9645 |
| logD: | 0.8264 |
| logSw: | -2.625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.325 |
| InChI Key: | UGOBFTJQUGGHJP-UHFFFAOYSA-N |