N-(2-ethyl-6-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-ethyl-6-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-ethyl-6-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: | C201-1205 |
| Compound Name: | N-(2-ethyl-6-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: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8874 |
| logD: | 3.8874 |
| logSw: | -4.1092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.264 |
| InChI Key: | JUFGSZHRTGTXJO-UHFFFAOYSA-N |