N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}benzenesulfonamide
Chemical Structure Depiction of
N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}benzenesulfonamide
N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}benzenesulfonamide
Compound characteristics
| Compound ID: | 6406-0209 |
| Compound Name: | N-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}benzenesulfonamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C16 H19 N5 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2C)SCCNS(c2ccccc2)(=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7697 |
| logD: | 1.7696 |
| logSw: | -2.6164 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.968 |
| InChI Key: | PDEPRFHBWGFMLV-UHFFFAOYSA-N |