4-chloro-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-3-carboxamide
4-chloro-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1380 |
| Compound Name: | 4-chloro-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C18 H20 Cl N5 O2 S |
| Smiles: | CCn1cc(c(C(NN2C(C)=Nc3c(C2=O)c2CCC(C)Cc2s3)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4501 |
| logD: | 2.4476 |
| logSw: | -3.4 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.658 |
| InChI Key: | YSEHEZNHHKJRQE-SECBINFHSA-N |