ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
Compound characteristics
| Compound ID: | 8289-0203 |
| Compound Name: | ethyl 4-{2-[4-(ethoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H23 N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)Nc1nc(C)c2c(n1)n(cn2)c1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2616 |
| logD: | 5.2615 |
| logSw: | -5.1254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.214 |
| InChI Key: | UFFSAGSRWZYZLS-UHFFFAOYSA-N |