methyl 4-{2-[4-(methoxycarbonyl)anilino]-6,8-dimethyl-9H-purin-9-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6,8-dimethyl-9H-purin-9-yl}benzoate
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6,8-dimethyl-9H-purin-9-yl}benzoate
Compound characteristics
| Compound ID: | C301-9378 |
| Compound Name: | methyl 4-{2-[4-(methoxycarbonyl)anilino]-6,8-dimethyl-9H-purin-9-yl}benzoate |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | Cc1c2c(nc(Nc3ccc(cc3)C(=O)OC)n1)n(c1ccc(cc1)C(=O)OC)c(C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4774 |
| logD: | 4.4773 |
| logSw: | -4.3417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.859 |
| InChI Key: | CESYYKXCNYMWNI-UHFFFAOYSA-N |