N-(3-methylbutyl)-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methylbutyl)-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0862 |
| Compound Name: | N-(3-methylbutyl)-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C27 H34 F3 N3 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CCOc3ccccc3)CC12)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3627 |
| logD: | 4.7217 |
| logSw: | -5.1941 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.006 |
| InChI Key: | VSMLTCWYMIJBLE-UHFFFAOYSA-N |