N-{4-[3-(2-methylpropoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-methylpropoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[3-(2-methylpropoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-8119 |
| Compound Name: | N-{4-[3-(2-methylpropoxy)-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2cccs2)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6946 |
| logD: | 5.6934 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.68 |
| InChI Key: | ZWFVDYQNZXNXIF-UHFFFAOYSA-N |