8-[(2-aminoethyl)amino]-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-aminoethyl)amino]-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2-aminoethyl)amino]-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0052 |
| Compound Name: | 8-[(2-aminoethyl)amino]-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 392.84 |
| Molecular Formula: | C17 H21 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(NCCN)n2Cc2cc(ccc2[Cl])OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9403 |
| logD: | -1.326 |
| logSw: | -2.9966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.659 |
| InChI Key: | NHRMHZGIRQEFDN-UHFFFAOYSA-N |