ethyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
ethyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
ethyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C692-0543 |
| Compound Name: | ethyl (8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-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: | CCOC(Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1476 |
| logD: | 2.1445 |
| logSw: | -3.2317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.018 |
| InChI Key: | RVOXBPUAROLNIM-UHFFFAOYSA-N |