7-[(2-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5465 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCCCO)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3888 |
| logD: | 2.3887 |
| logSw: | -3.0119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.615 |
| InChI Key: | BVJZQCVCLFFACU-UHFFFAOYSA-N |