methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C692-0524 |
| Compound Name: | methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C21 H26 N6 O5 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccc(cc1)OC)n2CC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1331 |
| logD: | 1.13 |
| logSw: | -2.1515 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.982 |
| InChI Key: | RRQMPJBWFUTHPP-UHFFFAOYSA-N |