7-[(6-chloro-2H-1,3-benzodioxol-5-yl)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-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)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: | 8010-0039 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)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: | 461.88 |
| Molecular Formula: | C18 H16 Cl N7 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cc3c(cc2[Cl])OCO3)Sc2nncn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8234 |
| logD: | 2.8234 |
| logSw: | -3.3834 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.896 |
| InChI Key: | XSJNPJCQFSAQSU-UHFFFAOYSA-N |