2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | Y032-4177 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C18 H17 N7 O3 S2 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(CSc3ccccc3)s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8968 |
| logD: | 1.7562 |
| logSw: | -2.5176 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.879 |
| InChI Key: | CSBIUPRKRKQYMT-UHFFFAOYSA-N |