N-(5-chloro-2-methoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(5-chloro-2-methoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0472 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 339.74 |
| Molecular Formula: | C13 H14 Cl N5 O4 |
| Smiles: | COc1ccc(cc1NC(CCCn1cnc(n1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9286 |
| logD: | 0.9084 |
| logSw: | -2.6167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.695 |
| InChI Key: | CRMQYRLVMZSNCW-UHFFFAOYSA-N |