[4-(3,5-dimethylanilino)-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl](phenyl)methanone
Chemical Structure Depiction of
[4-(3,5-dimethylanilino)-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl](phenyl)methanone
[4-(3,5-dimethylanilino)-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl](phenyl)methanone
Compound characteristics
| Compound ID: | C301-4811 |
| Compound Name: | [4-(3,5-dimethylanilino)-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl](phenyl)methanone |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C25 H21 N5 O |
| Smiles: | Cc1cc(C)cc(c1)Nc1c2nnc(C)n2c2cc(ccc2n1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8764 |
| logD: | 4.8762 |
| logSw: | -4.6459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.716 |
| InChI Key: | CMBGHQSXWYLHCU-UHFFFAOYSA-N |