N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M499-1654 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 435.41 |
| Molecular Formula: | C22 H18 F N5 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0568 |
| logD: | 2.0389 |
| logSw: | -2.944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.696 |
| InChI Key: | YDGLZYAGVRKEJN-UHFFFAOYSA-N |