4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-5-carboxamide
4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1312 |
| Compound Name: | 4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 450.36 |
| Molecular Formula: | C18 H20 Br N5 O2 S |
| Smiles: | CCn1c(C(NN2C(C)=Nc3c(C2=O)c2CCC(C)Cc2s3)=O)c(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6246 |
| logD: | 2.607 |
| logSw: | -2.7133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.564 |
| InChI Key: | PSLPYYXDTVKESB-SECBINFHSA-N |