N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)acetamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y032-2597 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)acetamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(Cc2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6968 |
| logD: | 3.4972 |
| logSw: | -3.9126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.538 |
| InChI Key: | PUTXXNLFZLRIFV-UHFFFAOYSA-N |