3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0160 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C18 H17 N5 O2 S2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2Sc2nc(C)cs2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.298 |
| logD: | 4.2977 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.102 |
| InChI Key: | ULHJIRJOLUYHRA-UHFFFAOYSA-N |