N-(4-fluoro-2-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-fluoro-2-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(4-fluoro-2-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0122 |
| Compound Name: | N-(4-fluoro-2-methylphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C14 H12 F N5 O S |
| Smiles: | Cc1cc(ccc1NC(CSc1c2c(ncn1)[nH]cn2)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.4659 |
| logD: | 1.4657 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.986 |
| InChI Key: | VNZYAIVTOXUIRB-UHFFFAOYSA-N |