methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | M451-2248 |
| Compound Name: | methyl 3-(2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CN1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9754 |
| logD: | 2.9754 |
| logSw: | -3.3672 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.76 |
| InChI Key: | LJQJNOAJKYGNLY-UHFFFAOYSA-N |