2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0490-5709 |
| Compound Name: | 2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C11 H9 Cl N4 O3 S2 |
| Smiles: | CCSc1nnc(NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9395 |
| logD: | 3.3881 |
| logSw: | -4.5469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.617 |
| InChI Key: | KHBSAUFYKIBUGK-UHFFFAOYSA-N |