6-(3-methoxypropyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-(3-methoxypropyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-(3-methoxypropyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0132 |
| Compound Name: | 6-(3-methoxypropyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C19 H22 F3 N3 O2 S |
| Smiles: | COCCCN1CCC2=C(C1)C(NC(=N2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6305 |
| logD: | 2.229 |
| logSw: | -3.0466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | AVRRGNPSAJNDKA-UHFFFAOYSA-N |