N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V028-6923 |
| Compound Name: | N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H16 N4 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C(CSc2nnc(NC(c3cccc(c3)[N+]([O-])=O)=O)s2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 4.681 |
| logSw: | -4.8456 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.592 |
| InChI Key: | OGWNFCZFDQBEPK-UHFFFAOYSA-N |