N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V016-6517 |
| Compound Name: | N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C18 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(C(CSc2nnc(NC(CC(C)(C)C)=O)s2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2665 |
| logD: | 5.2608 |
| logSw: | -5.1205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | NCXROHDCWYQKRV-UHFFFAOYSA-N |