N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)octanamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)octanamide
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)octanamide
Compound characteristics
| Compound ID: | V004-1181 |
| Compound Name: | N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)octanamide |
| Molecular Weight: | 377.57 |
| Molecular Formula: | C19 H27 N3 O S2 |
| Smiles: | CCCCCCCC(Nc1nnc(SCc2cc(C)cc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8989 |
| logD: | 6.8966 |
| logSw: | -5.4635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | JUGGNPUAOJXVCX-UHFFFAOYSA-N |