4-chloro-1,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-1,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
4-chloro-1,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1319 |
| Compound Name: | 4-chloro-1,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 391.88 |
| Molecular Formula: | C17 H18 Cl N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)n(C)n1)[Cl])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 1.8297 |
| logD: | 1.828 |
| logSw: | -3.3508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.643 |
| InChI Key: | WBMRYXTUDBZFDN-UHFFFAOYSA-N |