methyl (8-{[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C470-0447 |
| Compound Name: | methyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 460.92 |
| Molecular Formula: | C21 H25 Cl N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0283 |
| logD: | 2.0266 |
| logSw: | -2.7922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.524 |
| InChI Key: | PMOSEBKECIMMLC-UHFFFAOYSA-N |