7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-9153 |
| Compound Name: | 7-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 411.64 |
| Molecular Formula: | C15 H12 Br Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CC(c2ccc(cc2)[Br])=O)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0159 |
| logD: | 3.0159 |
| logSw: | -3.6299 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.17 |
| InChI Key: | GLOBIEUUXYETLQ-UHFFFAOYSA-N |