ethyl 1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-3-carboxylate
ethyl 1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | Y600-2820 |
| Compound Name: | ethyl 1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-3-carboxylate |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C22 H26 Cl N5 O4 |
| Smiles: | CCOC(C1CCCN(C1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9458 |
| logD: | 3.9458 |
| logSw: | -4.2195 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.385 |
| InChI Key: | VFNMMCDDQYFADF-HNNXBMFYSA-N |