N-(4-chloro-2-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2083 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C21 H17 Cl F N5 O2 S |
| Smiles: | Cc1ccc(c(C)c1)SC1C2=NN(CC(Nc3ccc(cc3F)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2708 |
| logD: | 4.2683 |
| logSw: | -4.5124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | QAMDYYRKWWXUND-UHFFFAOYSA-N |