7-[(3-bromophenyl)methyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0057 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C17 H21 Br N6 O2 |
| Smiles: | CN(C)CCNc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.4331 |
| logD: | -0.3346 |
| logSw: | -3.0067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.739 |
| InChI Key: | GXRMLSFBABTQSE-UHFFFAOYSA-N |