2-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-7107 |
| Compound Name: | 2-{4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | COc1ccc(cc1Cn1cccn1)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4462 |
| logD: | 3.3648 |
| logSw: | -3.9941 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.867 |
| InChI Key: | NARQLVWQIOHFKD-UHFFFAOYSA-N |