1-(4-tert-butylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one
1-(4-tert-butylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one
Compound characteristics
| Compound ID: | D036-1729 |
| Compound Name: | 1-(4-tert-butylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one |
| Molecular Weight: | 334.5 |
| Molecular Formula: | C17 H22 N2 O S2 |
| Smiles: | Cc1nnc(SCCCC(c2ccc(cc2)C(C)(C)C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5629 |
| logD: | 4.5629 |
| logSw: | -4.3398 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.885 |
| InChI Key: | PDKGMIZMVYLJSQ-UHFFFAOYSA-N |