7-[(4-bromophenyl)methyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0458 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C23 H22 Br N5 O2 |
| Smiles: | CN1C(c2c(nc(N3CCc4ccccc4C3)n2Cc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1371 |
| logD: | 5.1366 |
| logSw: | -5.052 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.359 |
| InChI Key: | PFNCDQPHMFVANQ-UHFFFAOYSA-N |