8-(methanesulfonyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(methanesulfonyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(methanesulfonyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D041-0011 |
| Compound Name: | 8-(methanesulfonyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 272.28 |
| Molecular Formula: | C9 H12 N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)S(C)(=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.467 |
| logD: | -0.467 |
| logSw: | -0.8598 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.488 |
| InChI Key: | LITVSIIZRQQKPD-UHFFFAOYSA-N |