N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Chemical Structure Depiction of
N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Compound characteristics
| Compound ID: | V002-8739 |
| Compound Name: | N-(5-{[(3-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C17 H20 N4 O S2 |
| Smiles: | CCCCCCC(Nc1nnc(SCc2cccc(C#N)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7034 |
| logD: | 4.7011 |
| logSw: | -4.4857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.078 |
| InChI Key: | FSULUIVNGGWBTQ-UHFFFAOYSA-N |