8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0650 |
| Compound Name: | 8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | CC(CCO)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4455 |
| logD: | 3.4454 |
| logSw: | -3.4416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.943 |
| InChI Key: | QALLFGSZOZKWJN-AWEZNQCLSA-N |