1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7286-2436 |
| Compound Name: | 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C17 H18 N8 O2 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCc1nnn[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.909 |
| logD: | 0.8542 |
| logSw: | -3.0589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.39 |
| InChI Key: | KMFKUFUPNDEECK-UHFFFAOYSA-N |