ethyl (8-{[4-(4-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
ethyl (8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
ethyl (8-{[4-(4-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: | C470-0472 |
| Compound Name: | ethyl (8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C22 H27 F N6 O4 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1301 |
| logD: | 2.1284 |
| logSw: | -2.5591 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.104 |
| InChI Key: | BDCIGFRACPKQDW-UHFFFAOYSA-N |