N-(2,4-dimethoxyphenyl)-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(2,4-dimethoxyphenyl)-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-0133 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C2=NN(CC(Nc3ccc(cc3OC)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9538 |
| logD: | 2.9538 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.063 |
| InChI Key: | RPFQCHZQMQNPKS-UHFFFAOYSA-N |