1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0335 |
| Compound Name: | 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.3 |
| Molecular Formula: | C18 H21 Cl2 N5 O2 |
| Smiles: | CC(C)CNc1nc2c(C(N(Cc3ccc(cc3[Cl])[Cl])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 4.2556 |
| logD: | 4.2553 |
| logSw: | -4.375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.162 |
| InChI Key: | RUOYDZLJKOGLLU-UHFFFAOYSA-N |