methyl 2-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
methyl 2-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | M451-2054 |
| Compound Name: | methyl 2-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | Cc1ccc(c(C)c1)SC1C2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3735 |
| logD: | 3.3694 |
| logSw: | -3.6739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.063 |
| InChI Key: | XSFYJJZWSJZCGY-UHFFFAOYSA-N |