N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | G587-0629 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C29 H39 N5 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(c2ccc3c(c2)N(C)C(C2CCCCN23)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4021 |
| logD: | 2.2555 |
| logSw: | -3.655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.026 |
| InChI Key: | JFMCEBYLAIUKFI-VWLOTQADSA-N |