N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 1067-0393 |
| Compound Name: | N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide |
| Molecular Weight: | 351.34 |
| Molecular Formula: | C13 H13 N5 O5 S |
| Smiles: | CC(C)Cc1nnc(NC(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3542 |
| logD: | 0.081 |
| logSw: | -3.816 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.832 |
| InChI Key: | JCWBATCSIAUFRF-UHFFFAOYSA-N |