2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-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}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | C470-0517 |
| Compound Name: | 2-(8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 445.91 |
| Molecular Formula: | C20 H24 Cl N7 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2CC(N)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1444 |
| logD: | 1.144 |
| logSw: | -2.5076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.333 |
| InChI Key: | CSZCXBJAVKXASA-UHFFFAOYSA-N |