7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3601-0038 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 381.25 |
| Molecular Formula: | C14 H13 Br N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Br])S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.224 |
| logD: | 3.2178 |
| logSw: | -3.2474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.76 |
| InChI Key: | YFLBLCRWXROGQP-UHFFFAOYSA-N |