6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0154 |
| Compound Name: | 6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H20 F3 N3 O S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCc1cccc(c1)C(F)(F)F)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8921 |
| logD: | 3.4906 |
| logSw: | -4.086 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.946 |
| InChI Key: | KCMJNZGMVKCUSG-UHFFFAOYSA-N |