ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
Compound characteristics
| Compound ID: | C301-6659 |
| Compound Name: | ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)Nc1nc(C)c2c(n1)n(c1ccc(cc1)C(=O)OCC)c(n2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6796 |
| logD: | 5.6678 |
| logSw: | -5.5072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.297 |
| InChI Key: | PHIXOHHSNZDNQH-UHFFFAOYSA-N |