3-(4-chloro-3,5-dimethyl-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-chloro-3,5-dimethyl-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-chloro-3,5-dimethyl-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: | Y500-1306 |
| Compound Name: | 3-(4-chloro-3,5-dimethyl-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: | 419.93 |
| Molecular Formula: | C19 H22 Cl N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1c(C)c(c(C)n1)[Cl])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.1749 |
| logD: | 2.1748 |
| logSw: | -3.6478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.928 |
| InChI Key: | IYJOTFMDMIXLKR-UHFFFAOYSA-N |