2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0208 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C24 H25 N3 O2 S |
| Smiles: | COc1ccccc1CN1CCC2=C(C1)C(NC(=N2)SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5582 |
| logD: | 3.1567 |
| logSw: | -3.73 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.576 |
| InChI Key: | WZTXNTMBNAVGIZ-UHFFFAOYSA-N |