ethyl 2-{[5-(3,5,5-trimethylhexanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,5,5-trimethylhexanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
ethyl 2-{[5-(3,5,5-trimethylhexanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V008-0073 |
| Compound Name: | ethyl 2-{[5-(3,5,5-trimethylhexanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 387.56 |
| Molecular Formula: | C17 H29 N3 O3 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(NC(CC(C)CC(C)(C)C)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4392 |
| logD: | 5.4356 |
| logSw: | -5.1961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.047 |
| InChI Key: | KJOWJHWVNCUIDS-UHFFFAOYSA-N |