7-[(3-bromophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0252 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.31 |
| Molecular Formula: | C18 H22 Br N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCCOC)n2Cc2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2051 |
| logD: | 3.205 |
| logSw: | -3.3322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.302 |
| InChI Key: | OXMQJNCZNIWUJW-UHFFFAOYSA-N |