N-(2H-1,3-benzodioxol-5-yl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-1758 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C21 H16 Cl N5 O4 S |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7919 |
| logD: | 2.7919 |
| logSw: | -3.469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.702 |
| InChI Key: | GWGSTVNOVXGNAQ-UHFFFAOYSA-N |