4-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
4-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0368-0010 |
| Compound Name: | 4-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C11 H9 Cl N4 O3 S2 |
| Smiles: | CCSc1nnc(NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6786 |
| logD: | 2.2859 |
| logSw: | -4.1662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.316 |
| InChI Key: | DKEQNKSSKAPODR-UHFFFAOYSA-N |