8-{[(5-amino-1,3,4-thiadiazol-2-yl)methyl]sulfanyl}-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(5-amino-1,3,4-thiadiazol-2-yl)methyl]sulfanyl}-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(5-amino-1,3,4-thiadiazol-2-yl)methyl]sulfanyl}-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5251-0019 |
| Compound Name: | 8-{[(5-amino-1,3,4-thiadiazol-2-yl)methyl]sulfanyl}-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C17 H16 Cl N7 O2 S2 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])SCc2nnc(N)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0111 |
| logD: | 3.011 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.812 |
| InChI Key: | NONJIDDHRDBRAR-UHFFFAOYSA-N |