N-(3-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(3-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-1872 |
| Compound Name: | N-(3-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 417.92 |
| Molecular Formula: | C19 H20 Cl N5 O2 S |
| Smiles: | C1CCC(CC1)SC1C2=NN(CC(Nc3cccc(c3)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9408 |
| logD: | 3.9407 |
| logSw: | -4.2374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.779 |
| InChI Key: | NPVMHDTZWYTFGZ-UHFFFAOYSA-N |