7-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)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: | 4082-0006 |
| Compound Name: | 7-[(3-chlorophenyl)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: | 417.87 |
| Molecular Formula: | C17 H16 Cl N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])Sc2nncn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8294 |
| logD: | 2.8294 |
| logSw: | -3.4244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.78 |
| InChI Key: | LFFIQZGEIKUDJA-UHFFFAOYSA-N |