7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-0852 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H23 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(N3CCCNCC3)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4711 |
| logD: | -0.6008 |
| logSw: | -3.1735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.989 |
| InChI Key: | JBFDJSHNNKJSAF-UHFFFAOYSA-N |