6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E140-0749 |
| Compound Name: | 6-benzyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C26 H28 F N5 O2 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(N1CCN(CC1)c1ccc(cc1)F)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.582 |
| logD: | 2.0326 |
| logSw: | -2.9344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.598 |
| InChI Key: | CJMSMMHVEYAMPR-UHFFFAOYSA-N |