methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate
Compound characteristics
| Compound ID: | C301-8141 |
| Compound Name: | methyl 4-{2-[4-(methoxycarbonyl)anilino]-6-methyl-8-sulfanyl-9H-purin-9-yl}benzoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | Cc1c2c(nc(Nc3ccc(cc3)C(=O)OC)n1)n(c1ccc(cc1)C(=O)OC)c(n2)S |
| Stereo: | ACHIRAL |
| logP: | 4.6583 |
| logD: | 4.6465 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.138 |
| InChI Key: | MAYBVIVHDBRMDP-UHFFFAOYSA-N |