N-[(3-chloro-4-fluorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
N-[(3-chloro-4-fluorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Compound characteristics
Compound ID: | P516-0638 |
Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide |
Molecular Weight: | 385.78 |
Molecular Formula: | C18 H13 Cl F N5 O2 |
Smiles: | Cc1ccc2c(c1)NC(c1c(C(NCc3ccc(c(c3)[Cl])F)=O)nnn12)=O |
Stereo: | ACHIRAL |
logP: | 2.6018 |
logD: | 2.5827 |
logSw: | -3.4601 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.671 |
InChI Key: | HAHAUYOHHPWXTL-UHFFFAOYSA-N |