7-[(2-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0147 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C16 H13 Cl N6 O2 S2 |
| Smiles: | Cc1nnc(Sc2nc3c(C(NC(N3C)=O)=O)n2Cc2ccccc2[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3684 |
| logD: | 3.3681 |
| logSw: | -3.5658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.6 |
| InChI Key: | IHHMVEPJUAOFBH-UHFFFAOYSA-N |