1,3-dioxo-N-[3-(3-phenylprop-2-enoyl)phenyl]-2-(4-{[3-(3-phenylprop-2-enoyl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
1,3-dioxo-N-[3-(3-phenylprop-2-enoyl)phenyl]-2-(4-{[3-(3-phenylprop-2-enoyl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
1,3-dioxo-N-[3-(3-phenylprop-2-enoyl)phenyl]-2-(4-{[3-(3-phenylprop-2-enoyl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 8004-0226 |
| Compound Name: | 1,3-dioxo-N-[3-(3-phenylprop-2-enoyl)phenyl]-2-(4-{[3-(3-phenylprop-2-enoyl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 721.77 |
| Molecular Formula: | C46 H31 N3 O6 |
| Smiles: | C(=C/c1ccccc1)\C(c1cccc(c1)NC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)C(Nc1cccc(c1)C(/C=C/c1ccccc1)=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.5155 |
| logD: | 8.4891 |
| logSw: | -6.3496 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.013 |
| InChI Key: | AWFSIXYOCUWHTR-UHFFFAOYSA-N |