N-(4-fluorophenyl)-3,4,5-trimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D433-0871 |
| Compound Name: | N-(4-fluorophenyl)-3,4,5-trimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C23 H22 F N5 O5 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cc(c(c(c1)OC)OC)OC)=O)c1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1448 |
| logD: | -0.5078 |
| logSw: | -3.1007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.325 |
| InChI Key: | GVVIKPBERJPWSW-UHFFFAOYSA-N |