N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-1900 |
| Compound Name: | N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C18 H16 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(CSc2nnc(NC(c3cccc(c3)[N+]([O-])=O)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7095 |
| logD: | 5.3105 |
| logSw: | -5.4554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | INFXCZXMRCJPPV-UHFFFAOYSA-N |