1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3033-1338 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 336.8 |
| Molecular Formula: | C14 H13 Cl N4 O2 S |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4178 |
| logD: | 2.4116 |
| logSw: | -2.8703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.804 |
| InChI Key: | YMAHHHZHRSQJIW-UHFFFAOYSA-N |