7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0094 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C16 H18 Cl N5 O2 |
| Smiles: | CCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2027 |
| logD: | 3.2019 |
| logSw: | -3.6432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.744 |
| InChI Key: | IUHAZHCBFYWDDG-UHFFFAOYSA-N |