7-[(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-7530 |
| Compound Name: | 7-[(6-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.22 |
| Molecular Formula: | C16 H13 Br N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC2NC(c3cc(ccc3N=2)[Br])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7964 |
| logD: | 0.7763 |
| logSw: | -2.4439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.894 |
| InChI Key: | BLNHLLNEOUBAGA-UHFFFAOYSA-N |