7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3951-0238 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.33 |
| Molecular Formula: | C17 H16 Br N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Br])Sc2nncn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0078 |
| logD: | 3.0078 |
| logSw: | -3.1178 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.78 |
| InChI Key: | LLZYVSFJJNVCNX-UHFFFAOYSA-N |