3-(4-bromo-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
3-(4-bromo-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
3-(4-bromo-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: | Y502-0189 |
| Compound Name: | 3-(4-bromo-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: | 436.33 |
| Molecular Formula: | C17 H18 Br N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1cc(cn1)[Br])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.0958 |
| logD: | 2.0956 |
| logSw: | -2.2636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.152 |
| InChI Key: | BLBJFBOMOZJDGI-UHFFFAOYSA-N |