2-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3374-0783 |
| Compound Name: | 2-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7528 |
| logD: | 4.7465 |
| logSw: | -4.9926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.04 |
| InChI Key: | ZAEFJKLHUUBQSA-UHFFFAOYSA-N |