3-benzyl-1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
3-benzyl-1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium--chloride (1/1)
3-benzyl-1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8016-6033 |
| Compound Name: | 3-benzyl-1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 N5 O2 S |
| Salt: | Cl- |
| Smiles: | CN1C(c2c(nc3n2C(C[n+]2cccc(Cc4ccccc4)c2)=CS3)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6287 |
| logD: | 3.6287 |
| logSw: | -3.7231 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.067 |
| InChI Key: | FONZQOZZZVGZPH-UHFFFAOYSA-N |