N-(2-fluoro-4-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-fluoro-4-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2-fluoro-4-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | C201-1727 |
| Compound Name: | N-(2-fluoro-4-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C20 H18 F N5 O2 S |
| Smiles: | Cc1ccc(c(c1)F)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5613 |
| logD: | 3.5612 |
| logSw: | -4.0606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.962 |
| InChI Key: | XHKKZPARLRXHRQ-UHFFFAOYSA-N |