3-cyclopentyl-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-cyclopentyl-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-cyclopentyl-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V031-0021 |
| Compound Name: | 3-cyclopentyl-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | C=CCNC(C1Cc2cc(ccc2N2CCN(CC12)C1CCCC1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6908 |
| logD: | 0.455 |
| logSw: | -3.1577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.91 |
| InChI Key: | QYKFXDSEKMJJOS-UHFFFAOYSA-N |