5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-3000 |
| Compound Name: | 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide |
| Molecular Weight: | 516.42 |
| Molecular Formula: | C22 H22 Br N5 O3 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1ccc(Cn3c(C)c(c(C)n3)[Br])o1)=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0692 |
| logD: | 3.0688 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.733 |
| InChI Key: | ZEXJKTYGPCLRQR-UHFFFAOYSA-N |