1-[(3-bromophenyl)methyl]-8-(butylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-8-(butylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(3-bromophenyl)methyl]-8-(butylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0323 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-8-(butylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 420.31 |
| Molecular Formula: | C18 H22 Br N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(Cc3cccc(c3)[Br])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.8691 |
| logD: | 3.868 |
| logSw: | -3.8477 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.004 |
| InChI Key: | WVDBSKIUQHBCTO-UHFFFAOYSA-N |