N-(4-chloro-3-fluorophenyl)-2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chloro-3-fluorophenyl)-2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-(4-chloro-3-fluorophenyl)-2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K788-0044 |
| Compound Name: | N-(4-chloro-3-fluorophenyl)-2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 490.39 |
| Molecular Formula: | C22 H18 Cl2 F N5 O S |
| Smiles: | Cc1c(Cc2cccc(c2)[Cl])c(C)n2c(n1)nc(n2)SCC(Nc1ccc(c(c1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4557 |
| logD: | 5.4475 |
| logSw: | -5.9237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.704 |
| InChI Key: | LJIBIWQFUNLNPN-UHFFFAOYSA-N |