N-[2-(2-methoxyphenyl)ethyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-methoxyphenyl)ethyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(2-methoxyphenyl)ethyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V009-2033 |
| Compound Name: | N-[2-(2-methoxyphenyl)ethyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 511.55 |
| Molecular Formula: | C27 H28 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | COc1ccccc1CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1ncccn1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6694 |
| logD: | 4.6694 |
| logSw: | -4.2369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.051 |
| InChI Key: | DYSVYCOLSHMBEF-UHFFFAOYSA-N |