5-[(3-fluorophenyl)methyl]-N-heptyl-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Chemical Structure Depiction of
5-[(3-fluorophenyl)methyl]-N-heptyl-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
5-[(3-fluorophenyl)methyl]-N-heptyl-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Compound characteristics
| Compound ID: | C798-1505 |
| Compound Name: | 5-[(3-fluorophenyl)methyl]-N-heptyl-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C25 H28 F N5 O2 |
| Smiles: | CCCCCCCNC(c1nc2C(N(Cc3cccc(c3)F)c3cc(C)ccc3n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4117 |
| logD: | 5.4117 |
| logSw: | -5.1361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.15 |
| InChI Key: | JVWLSGHXQKMKDJ-UHFFFAOYSA-N |