N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | 5628-0634 |
| Compound Name: | N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | COc1cc(C(Nc2nnc(C3CCCCC3)s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6113 |
| logD: | 1.4393 |
| logSw: | -3.9542 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.137 |
| InChI Key: | RFPXEPMAFLDHQZ-UHFFFAOYSA-N |