3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium
Chemical Structure Depiction of
3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium
3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium
Compound characteristics
| Compound ID: | 8018-6263 |
| Compound Name: | 3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridin-1-ium |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 N5 O2 S |
| Salt: | Cl- |
| Smiles: | CN1C(NC(c2c1nc1n2C(C[n+]2cccc(Cc3ccccc3)c2)=CS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2132 |
| logD: | 3.2019 |
| logSw: | -3.3656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.981 |
| InChI Key: | CMSDXNSCOGZVNW-UHFFFAOYSA-O |