N-{3-[3-ethoxy-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[3-ethoxy-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{3-[3-ethoxy-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V003-3806 |
| Compound Name: | N-{3-[3-ethoxy-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2cccs2)n(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0331 |
| logD: | 5.0331 |
| logSw: | -4.6786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.305 |
| InChI Key: | FKBKKTRBSCYTAJ-UHFFFAOYSA-N |