N-(4-cyanophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-cyanophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2147 |
| Compound Name: | N-(4-cyanophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C22 H18 N6 O2 S |
| Smiles: | CCc1ccccc1SC1C2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.076 |
| logD: | 3.0759 |
| logSw: | -3.3124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.643 |
| InChI Key: | JJQVMYUYWARGDO-UHFFFAOYSA-N |