2-{3-bromo-4-[(naphthalen-1-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-bromo-4-[(naphthalen-1-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-bromo-4-[(naphthalen-1-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-7894 |
| Compound Name: | 2-{3-bromo-4-[(naphthalen-1-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 517.44 |
| Molecular Formula: | C27 H21 Br N2 O2 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc(c(c3)[Br])OCc3cccc4ccccc34)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8811 |
| logD: | 6.7131 |
| logSw: | -7.0897 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.757 |
| InChI Key: | SAQFIHYPPWWZGY-UHFFFAOYSA-N |