6-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0165 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | COc1cccc(CSC2NC(C3CN(CCC=3N=2)Cc2ccc(cc2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2197 |
| logD: | 2.8183 |
| logSw: | -3.4697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.489 |
| InChI Key: | VWRLJEWCVNJMDP-UHFFFAOYSA-N |