N-(3-chloro-4-fluorophenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0016 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 337.76 |
| Molecular Formula: | C13 H9 Cl F N5 O S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.1771 |
| logD: | 2.1679 |
| logSw: | -3.1784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.684 |
| InChI Key: | KAUIUCDOLGVXDW-UHFFFAOYSA-N |