N-(3-chloro-2-methylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(3-chloro-2-methylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0002 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 349.8 |
| Molecular Formula: | C14 H12 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.928 |
| logD: | 1.3886 |
| logSw: | -2.576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.298 |
| InChI Key: | KCELMWRJXCVADD-UHFFFAOYSA-N |