ethyl [(8-tert-butyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(8-tert-butyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
ethyl [(8-tert-butyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 6280-1339 |
| Compound Name: | ethyl [(8-tert-butyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C25 H28 N4 O3 S2 |
| Smiles: | CCOC(CSc1nnc2N(C(c3c4CCC(Cc4sc3n12)C(C)(C)C)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4251 |
| logD: | 5.4251 |
| logSw: | -5.3859 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.503 |
| InChI Key: | FLIFEESKIPASKS-OAHLLOKOSA-N |