2-{8-[(4-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{8-[(4-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{8-[(4-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | M451-0985 |
Compound Name: | 2-{8-[(4-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 423.47 |
Molecular Formula: | C21 H18 F N5 O2 S |
Smiles: | Cc1ccc(CNC(CN2C(N3C=CN=C(C3=N2)Sc2ccc(cc2)F)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8154 |
logD: | 2.8154 |
logSw: | -3.2921 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.909 |
InChI Key: | BXUKFWDFOVFVQD-UHFFFAOYSA-N |