N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-3837 |
| Compound Name: | N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCCCC23)[N+]([O-])=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2439 |
| logD: | 3.2439 |
| logSw: | -3.4281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.79 |
| InChI Key: | GUAIVUOXAKEWNY-UHFFFAOYSA-N |