3-(2-methylpropanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3-(2-methylpropanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
3-(2-methylpropanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y031-3352 |
| Compound Name: | 3-(2-methylpropanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | CC(C)C(Nc1cccc(c1)C(Nc1nnc(CSc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.483 |
| logD: | 3.454 |
| logSw: | -4.2186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.461 |
| InChI Key: | FAVQGMJZEBQWBU-UHFFFAOYSA-N |