N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0553 |
| Compound Name: | N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 426.39 |
| Molecular Formula: | C19 H18 N6 O6 |
| Smiles: | Cc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9638 |
| logD: | 2.9602 |
| logSw: | -3.5502 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.891 |
| InChI Key: | SVSJSDRVXGVXRL-UHFFFAOYSA-N |