N-(2-bromo-4-methylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
N-(2-bromo-4-methylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | L908-0247 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C20 H18 Br N5 O2 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C(N=C2c3c4CCCCc4sc3N=CN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9395 |
| logD: | 0.3203 |
| logSw: | -4.2545 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.243 |
| InChI Key: | QKPYGIXXXOOGHM-UHFFFAOYSA-N |