methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate
Compound characteristics
| Compound ID: | C301-7709 |
| Compound Name: | methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-9H-purin-9-yl}benzoate |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | Cc1c2c(nc(Nc3ccc(cc3)C(=O)OC)n1)n(cn2)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2402 |
| logD: | 4.2402 |
| logSw: | -4.3755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.054 |
| InChI Key: | USAIBCASPAHKNB-UHFFFAOYSA-N |