7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0157 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 419.91 |
| Molecular Formula: | C17 H14 Cl N5 O2 S2 |
| Smiles: | Cc1csc(n1)Sc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.273 |
| logD: | 4.2727 |
| logSw: | -4.4025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.102 |
| InChI Key: | ZKAQGGSFTBNSIZ-UHFFFAOYSA-N |