2-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F145-0365 |
| Compound Name: | 2-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | CC1CCc2c3C(NC(CCC(N4CCN(CC4)c4ccc(cc4)[Cl])=O)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2842 |
| logD: | 4.2836 |
| logSw: | -4.8993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.376 |
| InChI Key: | AVNZJYKMOVPGFY-OAHLLOKOSA-N |