N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2582 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(CC(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4002 |
| logD: | 3.0204 |
| logSw: | -4.3966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | OTIYEQAQARAAFX-UHFFFAOYSA-N |