4-chloro-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-chloro-N-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}benzene-1-sulfonamide
4-chloro-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: | C301-9150 |
| Compound Name: | 4-chloro-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: | 491.97 |
| Molecular Formula: | C20 H18 Cl N5 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)NS(c2ccc(cc2)[Cl])(=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.009 |
| logD: | 3.9491 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.746 |
| InChI Key: | KNRSQBWSCXJNRU-UHFFFAOYSA-N |