2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F815-0939 |
| Compound Name: | 2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 500.02 |
| Molecular Formula: | C24 H26 Cl N5 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C4=NN(CC(Nc5ccc(c(c5)[Cl])OC)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2866 |
| logD: | 5.2865 |
| logSw: | -6.196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.29 |
| InChI Key: | JICWCUXUMQIDDV-CYBMUJFWSA-N |