N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V017-9236 |
| Compound Name: | N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C15 H16 N4 O S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCc2ccccc2C#N)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9906 |
| logD: | 3.987 |
| logSw: | -4.2148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.078 |
| InChI Key: | FKZTVCBGTLERCT-UHFFFAOYSA-N |