7-[(3,4-dichlorophenyl)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-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)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: | 3448-5590 |
Compound Name: | 7-[(3,4-dichlorophenyl)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: | 452.32 |
Molecular Formula: | C17 H15 Cl2 N7 O2 S |
Smiles: | CN1C(c2c(nc(n2Cc2ccc(c(c2)[Cl])[Cl])Sc2nncn2C)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.491 |
logD: | 3.491 |
logSw: | -3.7419 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 68.78 |
InChI Key: | VVNNQZMQMRRSMX-UHFFFAOYSA-N |