N-[(1Z)-1-(1-cyano-2-{[(furan-2-yl)methyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(1-cyano-2-{[(furan-2-yl)methyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-3,4-dimethoxybenzamide
N-[(1Z)-1-(1-cyano-2-{[(furan-2-yl)methyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | IB08-1374 |
| Compound Name: | N-[(1Z)-1-(1-cyano-2-{[(furan-2-yl)methyl]amino}-2-oxoethylidene)-1H-isoindol-3-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C25 H20 N4 O5 |
| Smiles: | COc1ccc(cc1OC)C(NC1c2ccccc2/C(=C(\C#N)C(NCc2ccco2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7 |
| logD: | 0.61 |
| logSw: | -3.7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 169.55 |
| InChI Key: | CSWOFYQGOIQHCO-UHFFFAOYSA-N |