8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3175-0624 |
| Compound Name: | 8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 318.76 |
| Molecular Formula: | C15 H15 Cl N4 O2 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4511 |
| logD: | 3.4511 |
| logSw: | -3.6515 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.924 |
| InChI Key: | DEDDPQPYPOGMRX-UHFFFAOYSA-N |