N-{4-[3-(2-methoxyethoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-methoxyethoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[3-(2-methoxyethoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-3203 |
| Compound Name: | N-{4-[3-(2-methoxyethoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Salt: | not_available |
| Smiles: | COCCOc1nc(c2cccs2)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8426 |
| logD: | 3.8425 |
| logSw: | -4.0904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.941 |
| InChI Key: | HKFIEUCVCOUPSE-UHFFFAOYSA-N |