7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0425 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 528.4 |
| Molecular Formula: | C24 H26 Br N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCc3ccc(c(c3)OC)OC)n2Cc2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9634 |
| logD: | 3.9633 |
| logSw: | -4.1786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.949 |
| InChI Key: | IPVKAKNLJYZLBN-UHFFFAOYSA-N |