7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2739 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.94 |
| Molecular Formula: | C21 H27 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.592 |
| logD: | 2.3684 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.579 |
| InChI Key: | LVXGYPJECBFBTL-UHFFFAOYSA-N |