4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V010-2128 |
| Compound Name: | 4-tert-butyl-N-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCC(c2ccc(cc2)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7916 |
| logD: | 5.7354 |
| logSw: | -5.4886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.755 |
| InChI Key: | WHLKYDSGMBIURJ-UHFFFAOYSA-N |