3,3-dimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
3,3-dimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V007-6630 |
| Compound Name: | 3,3-dimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C17 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(NC(CC(C)(C)C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5704 |
| logD: | 4.5648 |
| logSw: | -4.3685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | QPPANRCBQLTADX-UHFFFAOYSA-N |