7-butyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5692-1348 |
| Compound Name: | 7-butyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 268.33 |
| Molecular Formula: | C11 H16 N4 O2 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1015 |
| logD: | 2.0992 |
| logSw: | -1.9446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.01 |
| InChI Key: | KACXGTLTRSDZAJ-UHFFFAOYSA-N |