N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)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)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-3263 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1949 |
| logD: | 2.1949 |
| logSw: | -2.863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.024 |
| InChI Key: | QYOXFGCWMJCKCS-UHFFFAOYSA-N |