7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-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-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4244-2141 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.81 |
| Molecular Formula: | C15 H13 Cl N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cc3c(cc2[Cl])OCO3)S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0395 |
| logD: | 3.0333 |
| logSw: | -3.3546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.875 |
| InChI Key: | MUBWELNOIYCPAR-UHFFFAOYSA-N |