N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V013-2944 |
| Compound Name: | N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C16 H12 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)Sc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1579 |
| logD: | 3.7589 |
| logSw: | -4.3462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | GNFHJABPBKPZAO-UHFFFAOYSA-N |