1-[(3-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(3-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0509 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.28 |
| Molecular Formula: | C17 H20 Br N5 O3 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Br])C(c2c1nc(NCCOC)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5494 |
| logD: | 2.5483 |
| logSw: | -2.8935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.346 |
| InChI Key: | NOBMOQFEUIFTAO-UHFFFAOYSA-N |