methyl (8-{[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C692-0526 |
| Compound Name: | methyl (8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 460.92 |
| Molecular Formula: | C21 H25 Cl N6 O4 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CC(=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3118 |
| logD: | 2.3076 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.137 |
| InChI Key: | DZXONPWFPBCXMC-UHFFFAOYSA-N |