8-(benzylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5583 |
| Compound Name: | 8-(benzylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C21 H20 Br N5 O2 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Br])C(c2c1nc(NCc1ccccc1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9424 |
| logD: | 3.9395 |
| logSw: | -3.9818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.891 |
| InChI Key: | HOVOSQGINWPYJW-UHFFFAOYSA-N |