2-(2-methylphenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(2-methylphenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(2-methylphenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | F599-0297 |
| Compound Name: | 2-(2-methylphenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C19 H19 N7 O4 S2 |
| Smiles: | Cc1ccccc1OCC(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6037 |
| logD: | 3.6021 |
| logSw: | -3.9013 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.466 |
| InChI Key: | JHTOFLBELUUXOB-UHFFFAOYSA-N |