4-methyl-N-{4-[(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-methyl-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
4-methyl-N-{4-[(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: | C301-9151 |
| Compound Name: | 4-methyl-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C21 H21 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8377 |
| logD: | 3.8139 |
| logSw: | -3.9119 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.746 |
| InChI Key: | WWYDOKHLLDEWNF-UHFFFAOYSA-N |