N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
Chemical Structure Depiction of
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
Compound characteristics
| Compound ID: | V003-3157 |
| Compound Name: | N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Smiles: | CC(CC(Nc1nnc(SCC(c2cccc(c2)OC)=O)s1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4817 |
| logD: | 5.478 |
| logSw: | -5.4404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.813 |
| InChI Key: | FIGOMTUFTOPIJN-CYBMUJFWSA-N |