4-methoxy-N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-methoxy-N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
4-methoxy-N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C301-8742 |
| Compound Name: | 4-methoxy-N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C21 H21 N5 O5 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccccc2NS(c2ccc(cc2)OC)(=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3418 |
| logD: | 3.3417 |
| logSw: | -3.8014 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.592 |
| InChI Key: | KCFWCAROGXWFRE-UHFFFAOYSA-N |