1,3-dioxo-N-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-2-(3-{[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
1,3-dioxo-N-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-2-(3-{[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
1,3-dioxo-N-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-2-(3-{[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 8007-3067 |
| Compound Name: | 1,3-dioxo-N-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-2-(3-{[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]carbamoyl}phenyl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 721.77 |
| Molecular Formula: | C46 H31 N3 O6 |
| Smiles: | C(=C\c1ccc(cc1)NC(c1cccc(c1)N1C(c2ccc(cc2C1=O)C(Nc1ccc(\C=C/C(c2ccccc2)=O)cc1)=O)=O)=O)\C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6613 |
| logD: | 7.6561 |
| logSw: | -6.3188 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.013 |
| InChI Key: | VXEVPQYUEAJYRW-UHFFFAOYSA-N |