N-(2-chloro-4-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0027 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 333.8 |
| Molecular Formula: | C14 H12 Cl N5 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1c2c(ncn1)[nH]cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1708 |
| logD: | 2.1706 |
| logSw: | -3.0114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.986 |
| InChI Key: | GSNZHGZVFYDBGG-UHFFFAOYSA-N |