N-(butan-2-yl)-3-phenyl-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-phenyl-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(butan-2-yl)-3-phenyl-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-7739 |
| Compound Name: | N-(butan-2-yl)-3-phenyl-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C24 H28 F3 N3 O |
| Smiles: | CCC(C)NC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0249 |
| logD: | 5.0245 |
| logSw: | -4.4546 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.9297 |
| InChI Key: | YRBGWXFFQMQJLW-UHFFFAOYSA-N |