7-[2-(benzenesulfonyl)ethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(benzenesulfonyl)ethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(benzenesulfonyl)ethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-9108 |
| Compound Name: | 7-[2-(benzenesulfonyl)ethyl]-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C15 H15 Cl N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2CCS(c2ccccc2)(=O)=O)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7094 |
| logD: | 1.7094 |
| logSw: | -2.5553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.938 |
| InChI Key: | WPESAFJVWZGNCH-UHFFFAOYSA-N |