2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E140-0947 |
| Compound Name: | 2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C24 H23 F3 N4 O3 S |
| Smiles: | COc1ccccc1CN1CCC2=C(C1)C(NC(=N2)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6825 |
| logD: | 3.1331 |
| logSw: | -3.9872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.726 |
| InChI Key: | QHIINQLEPUEXCC-UHFFFAOYSA-N |