2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Chemical Structure Depiction of
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-1981 |
| Compound Name: | 2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide |
| Molecular Weight: | 450.36 |
| Molecular Formula: | C18 H20 Br N5 O2 S |
| Smiles: | CC(C(NN1C(C)=Nc2c(C1=O)c1CCCCc1s2)=O)n1cc(c(C)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.272 |
| logD: | 2.2719 |
| logSw: | -2.3361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.544 |
| InChI Key: | ZFHWSBKUNGZSLK-JTQLQIEISA-N |