2,2-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
2,2-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | V002-7156 |
| Compound Name: | 2,2-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C15 H19 N3 O S2 |
| Smiles: | Cc1cccc(CSc2nnc(NC(C(C)(C)C)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7272 |
| logD: | 4.7225 |
| logSw: | -4.5371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.236 |
| InChI Key: | LJASRYZESMPBIB-UHFFFAOYSA-N |