N-(3-chloro-4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D112-0005 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide |
| Molecular Weight: | 476.89 |
| Molecular Formula: | C20 H15 Cl F2 N6 O2 S |
| Smiles: | C(c1ccc(cc1)F)c1nc(c2c(n1)n(CSCC(Nc1ccc(c(c1)[Cl])F)=O)nn2)O |
| Stereo: | ACHIRAL |
| logP: | 3.5542 |
| logD: | 2.2103 |
| logSw: | -3.7527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.822 |
| InChI Key: | XRUYYNWQXRKRRS-UHFFFAOYSA-N |