4-ethyl-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-ethyl-N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
4-ethyl-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: | C301-8791 |
| Compound Name: | 4-ethyl-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: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | CCc1ccc(cc1)S(Nc1ccccc1Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2901 |
| logD: | 4.2896 |
| logSw: | -4.1642 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.048 |
| InChI Key: | SWJHLVSMWLDNRZ-UHFFFAOYSA-N |