N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V002-6790 |
| Compound Name: | N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C15 H19 N3 O S2 |
| Smiles: | CCCC(Nc1nnc(SCc2cc(C)cc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0192 |
| logD: | 5.0169 |
| logSw: | -4.5924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | IBPKCZRECYDTMH-UHFFFAOYSA-N |