7-[(2-bromophenyl)methyl]-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-bromophenyl)methyl]-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-bromophenyl)methyl]-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0217 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 420.31 |
| Molecular Formula: | C18 H22 Br N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3547 |
| logD: | 4.3546 |
| logSw: | -4.1235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | QYCVZPYKUJKXKY-UHFFFAOYSA-N |