N-(3-chloro-4-methoxyphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0110 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 349.8 |
| Molecular Formula: | C14 H12 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1c2c(ncn1)[nH]cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9576 |
| logD: | 1.9573 |
| logSw: | -2.9413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.314 |
| InChI Key: | PPWRVIVPUBVQJH-UHFFFAOYSA-N |