5-(4-cyclohexylphenyl)-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-(prop-2-en-1-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
5-(4-cyclohexylphenyl)-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-(prop-2-en-1-yl)thiophene-2-carboxamide
5-(4-cyclohexylphenyl)-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-(prop-2-en-1-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V006-0358 |
| Compound Name: | 5-(4-cyclohexylphenyl)-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-(prop-2-en-1-yl)thiophene-2-carboxamide |
| Molecular Weight: | 550.76 |
| Molecular Formula: | C35 H38 N2 O2 S |
| Smiles: | C/C=C/[C@@H]1CC(C[C@H]2c3ccccc3C(N12)=O)N(CC=C)C(c1ccc(c2ccc(cc2)C2CCCCC2)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.9734 |
| logD: | 8.9734 |
| logSw: | -5.6666 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.326 |
| InChI Key: | BXASGWTXRFZPJC-ZYFDBEBBSA-N |