ethyl 4-(2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F798-0281 |
| Compound Name: | ethyl 4-(2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2N(CC(C)C)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3482 |
| logD: | 4.3481 |
| logSw: | -4.0634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.505 |
| InChI Key: | RZTJNEGSLPPKEC-UHFFFAOYSA-N |