N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F599-0289 |
| Compound Name: | N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C18 H15 N7 O5 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(c3ccc4c(c3)OCO4)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1168 |
| logD: | 3.1113 |
| logSw: | -3.4295 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.209 |
| InChI Key: | UVYWIGGSTYJMDM-UHFFFAOYSA-N |