5-[(3-chlorophenyl)methyl]-7-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Chemical Structure Depiction of
5-[(3-chlorophenyl)methyl]-7-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
5-[(3-chlorophenyl)methyl]-7-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Compound characteristics
| Compound ID: | L152-0607 |
| Compound Name: | 5-[(3-chlorophenyl)methyl]-7-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C25 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1nc(C(Nc3cccc(c3)SC)=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4997 |
| logD: | 5.4996 |
| logSw: | -5.7182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.714 |
| InChI Key: | JESHGZNVVLWODX-UHFFFAOYSA-N |