N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8005-5910 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C11 H10 N4 O3 S2 |
| Smiles: | CCSc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4094 |
| logD: | 2.8383 |
| logSw: | -3.7689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.617 |
| InChI Key: | PUMSKWHEQKGHFR-UHFFFAOYSA-N |