N-ethyl-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
N-ethyl-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
N-ethyl-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D585-0522 |
| Compound Name: | N-ethyl-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CCN(C(CSc1nc(c2c(n1)[nH]cn2)O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0501 |
| logD: | 1.5107 |
| logSw: | -2.4131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.938 |
| InChI Key: | KYWLBXXEZOFKNC-UHFFFAOYSA-N |