N-butyl-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Chemical Structure Depiction of
N-butyl-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
N-butyl-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Compound characteristics
| Compound ID: | L152-0637 |
| Compound Name: | N-butyl-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CCCCNC(c1nc2C(N(Cc3cccc(c3)[Cl])c3cc(C)ccc3n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5241 |
| logD: | 4.5241 |
| logSw: | -4.4808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.15 |
| InChI Key: | QSFYBLYVUSBIFW-UHFFFAOYSA-N |