N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzamide--hydrogen chloride (1/1)
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C301-4490 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 571.13 |
| Molecular Formula: | C31 H34 N8 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(c2ccc(cc2)Nc2c3nncn3c3ccccc3n2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3219 |
| logD: | 3.1753 |
| logSw: | -4.0907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.275 |
| InChI Key: | ISIJEWUDRUMCIK-UHFFFAOYSA-N |