5-(4-ethoxyphenyl)-N-{(4RS,10bRS)-6-oxo-4-[(1E)-prop-1-en-1-yl]-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-2-yl}-N-propylthiophene-2-carboxamide
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-N-{(4RS,10bRS)-6-oxo-4-[(1E)-prop-1-en-1-yl]-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-2-yl}-N-propylthiophene-2-carboxamide
5-(4-ethoxyphenyl)-N-{(4RS,10bRS)-6-oxo-4-[(1E)-prop-1-en-1-yl]-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-2-yl}-N-propylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | V009-0325 |
| Compound Name: | 5-(4-ethoxyphenyl)-N-{(4RS,10bRS)-6-oxo-4-[(1E)-prop-1-en-1-yl]-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-2-yl}-N-propylthiophene-2-carboxamide |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C31 H34 N2 O3 S |
| Smiles: | CCCN(C1C[C@@H](/C=C/C)N2C(c3ccccc3[C@@H]2C1)=O)C(c1ccc(c2ccc(cc2)OCC)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2377 |
| logD: | 7.2377 |
| logSw: | -5.6852 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.529 |
| InChI Key: | JQJCHFXNTPMPNW-AGAMRWJHSA-N |