7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-6992 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C20 H22 Cl N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])SCC(N2CCOCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5869 |
| logD: | 2.5869 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.316 |
| InChI Key: | XKNFAQOSUCMRRQ-UHFFFAOYSA-N |