6-[(4-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-[(4-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0176 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C22 H19 F4 N3 O S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.9211 |
| logD: | 3.5197 |
| logSw: | -4.0933 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.946 |
| InChI Key: | RFRBMRNGEOQTEJ-UHFFFAOYSA-N |