N-(4-bromo-2-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(4-bromo-2-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0041 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 398.21 |
| Molecular Formula: | C13 H9 Br F N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1F)[Br])=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.8012 |
| logD: | 1.2617 |
| logSw: | -2.4663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.298 |
| InChI Key: | RBFWRAQNUMTFQT-UHFFFAOYSA-N |