methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C470-0448 |
| Compound Name: | methyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H25 F N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3F)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6232 |
| logD: | 1.6215 |
| logSw: | -1.9975 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.223 |
| InChI Key: | JRGOEPSDJDAGSQ-UHFFFAOYSA-N |