7-[(3,4-dichlorophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0523 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.3 |
| Molecular Formula: | C18 H21 Cl2 N5 O3 |
| Smiles: | CC(CCO)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5426 |
| logD: | 3.5424 |
| logSw: | -3.6339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.215 |
| InChI Key: | VXPYBMAIQKIYMF-JTQLQIEISA-N |