ethyl [(4-benzyl-8-tert-butyl-5-oxo-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 [(4-benzyl-8-tert-butyl-5-oxo-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 [(4-benzyl-8-tert-butyl-5-oxo-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: | 4386-4473 |
| Compound Name: | ethyl [(4-benzyl-8-tert-butyl-5-oxo-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: | 510.68 |
| Molecular Formula: | C26 H30 N4 O3 S2 |
| Smiles: | CCOC(CSc1nnc2N(Cc3ccccc3)C(c3c4CCC(Cc4sc3n12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0201 |
| logD: | 6.0201 |
| logSw: | -5.4405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.114 |
| InChI Key: | SWPGQFIQOBACSH-KRWDZBQOSA-N |