2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | C692-0565 |
| Compound Name: | 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 431.88 |
| Molecular Formula: | C19 H22 Cl N7 O3 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1cccc(c1)[Cl])n2CC(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7289 |
| logD: | 0.7256 |
| logSw: | -2.5339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.247 |
| InChI Key: | PXBFMFIZBACGCE-UHFFFAOYSA-N |