N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Compound characteristics
| Compound ID: | V003-3158 |
| Compound Name: | N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C18 H25 N3 O S2 |
| Smiles: | CCCCCCC(Nc1nnc(SCc2cc(C)cc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.403 |
| logD: | 6.4007 |
| logSw: | -5.3872 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | SMKYHRAEBVRZGC-UHFFFAOYSA-N |