N-ethyl-N-[4-(propan-2-yl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-ethyl-N-[4-(propan-2-yl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-ethyl-N-[4-(propan-2-yl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0118 |
| Compound Name: | N-ethyl-N-[4-(propan-2-yl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CCN(C(CSc1c2c(ncn1)[nH]cn2)=O)c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.2413 |
| logD: | 3.2411 |
| logSw: | -3.4235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.626 |
| InChI Key: | UHLFEWAKKXJXJX-UHFFFAOYSA-N |