N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V005-6057 |
| Compound Name: | N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 318.42 |
| Molecular Formula: | C14 H14 N4 O S2 |
| Smiles: | CCCC(Nc1nnc(SCc2cccc(C#N)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3196 |
| logD: | 3.3173 |
| logSw: | -3.5689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.078 |
| InChI Key: | YJEGGEAVRDBPOC-UHFFFAOYSA-N |