N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | Y031-3228 |
| Compound Name: | N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 335.49 |
| Molecular Formula: | C16 H21 N3 O S2 |
| Smiles: | CC(C)(C)CC(Nc1nnc(CSCc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.347 |
| logD: | 4.153 |
| logSw: | -4.332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.156 |
| InChI Key: | XNXJTNMKKSPAPR-UHFFFAOYSA-N |