8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0257 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C26 H29 Cl N6 O2 |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(CC2)c2cccc(c2)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6032 |
| logD: | 4.603 |
| logSw: | -4.5784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.673 |
| InChI Key: | ISOOPSRPIZQKJS-UHFFFAOYSA-N |