1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide
1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y600-2768 |
| Compound Name: | 1-{7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H23 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(N3CCC(CC3)C(N)=O)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5136 |
| logD: | 2.5135 |
| logSw: | -2.9319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.756 |
| InChI Key: | UJYHWXGDSCOFRI-UHFFFAOYSA-N |