3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V010-3196 |
| Compound Name: | 3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 335.49 |
| Molecular Formula: | C16 H21 N3 O S2 |
| Smiles: | Cc1cccc(CSc2nnc(NC(CC(C)(C)C)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2685 |
| logD: | 5.2628 |
| logSw: | -5.1862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | PKFXMXSQQXKIPW-UHFFFAOYSA-N |