1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-5804 |
| Compound Name: | 1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C20 H23 N9 O2 S |
| Smiles: | CN1C(c2c(nc(N3CCCC3)n2CCSc2nnnn2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7928 |
| logD: | 2.7922 |
| logSw: | -3.0742 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.964 |
| InChI Key: | PVROMKADMRGWJM-UHFFFAOYSA-N |