3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0143 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C17 H17 N7 O2 S |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2Sc2nncn2C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.405 |
| logD: | 2.4047 |
| logSw: | -2.8782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.694 |
| InChI Key: | LZLJCMCODPQHQH-UHFFFAOYSA-N |