N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V002-6719 |
| Compound Name: | N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide |
| Molecular Weight: | 335.49 |
| Molecular Formula: | C16 H21 N3 O S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCc2cc(C)cc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4622 |
| logD: | 5.4586 |
| logSw: | -5.312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | LAKYWILOKYYWRE-UHFFFAOYSA-N |