N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8006-2449 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C11 H9 N5 O5 S2 |
| Smiles: | CCSc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4281 |
| logD: | 1.8433 |
| logSw: | -3.7749 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.999 |
| InChI Key: | CAAOMJNRPWTFSC-UHFFFAOYSA-N |