4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide
Chemical Structure Depiction of
4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide
4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide
Compound characteristics
| Compound ID: | D585-0219 |
| Compound Name: | 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C22 H20 N6 O5 S |
| Smiles: | COc1cc(c(cc1C(Nc1ccccc1)=O)OC)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0928 |
| logD: | 1.5534 |
| logSw: | -3.2151 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.65 |
| InChI Key: | KPFLNOMMXUVDPL-UHFFFAOYSA-N |