6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V028-6561 |
| Compound Name: | 6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H26 F N5 O2 |
| Smiles: | C1CN(CC2=CC(NC(=N2)N2CCN(CC2)C(c2ccc(cc2)F)=O)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.3223 |
| logD: | 0.1118 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.213 |
| InChI Key: | OIFMXNITCGHVPV-UHFFFAOYSA-N |