3,5,5-trimethyl-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}hexanamide
Chemical Structure Depiction of
3,5,5-trimethyl-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}hexanamide
3,5,5-trimethyl-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}hexanamide
Compound characteristics
| Compound ID: | V007-8142 |
| Compound Name: | 3,5,5-trimethyl-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}hexanamide |
| Molecular Weight: | 391.55 |
| Molecular Formula: | C19 H25 N3 O2 S2 |
| Smiles: | CC(CC(Nc1nnc(SCC(c2ccccc2)=O)s1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0793 |
| logD: | 5.0757 |
| logSw: | -4.8686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | YQNLDWAPEXXHCD-CYBMUJFWSA-N |