1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | Y600-2736 |
Compound Name: | 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 412.49 |
Molecular Formula: | C21 H28 N6 O3 |
Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2NCCN2CCOCC2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.2975 |
logD: | 1.6673 |
logSw: | -2.7941 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.579 |
InChI Key: | QOGSACYEAYPSJZ-UHFFFAOYSA-N |