ethyl 4-({3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
ethyl 4-({3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0254 |
| Compound Name: | ethyl 4-({3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5066 |
| logD: | 2.5044 |
| logSw: | -2.7742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.107 |
| InChI Key: | QRPQGJVDPLEIIA-UHFFFAOYSA-N |