ethyl 4-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
ethyl 4-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0207 |
| Compound Name: | ethyl 4-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C22 H27 Cl N6 O4 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8702 |
| logD: | 2.87 |
| logSw: | -3.3317 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.193 |
| InChI Key: | IOFBLELRRGIGEZ-UHFFFAOYSA-N |