4-tert-butyl-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
4-tert-butyl-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | V013-7409 |
| Compound Name: | 4-tert-butyl-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C21 H23 N3 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCCc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6356 |
| logD: | 6.5388 |
| logSw: | -5.7291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | HVAASAPPVIVADS-UHFFFAOYSA-N |