3,7-dimethyl-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3,7-dimethyl-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3,7-dimethyl-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-8959 |
| Compound Name: | 3,7-dimethyl-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 338.33 |
| Molecular Formula: | C15 H14 N8 O2 |
| Smiles: | CN1C(N(Cc2ccc(cc2)c2nnn[nH]2)C(c2c1ncn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5768 |
| logD: | -2.4103 |
| logSw: | -1.9107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.863 |
| InChI Key: | VVNKVDUSFKDESW-UHFFFAOYSA-N |