6-[(2-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(2-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-[(2-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0220 |
| Compound Name: | 6-[(2-methoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H22 F3 N3 O2 S |
| Smiles: | COc1ccccc1CN1CCC2=C(C1)C(NC(=N2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9981 |
| logD: | 3.5967 |
| logSw: | -4.1423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.576 |
| InChI Key: | SPXJFPLREDNAMI-UHFFFAOYSA-N |