N-[(1Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[(1Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl]benzamide
N-[(1Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | IB01-8797 |
| Compound Name: | N-[(1Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-{[(furan-2-yl)methyl]amino}-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 597.47 |
| Molecular Formula: | C31 H25 Br N4 O4 |
| Smiles: | COc1ccc(cc1[Br])c1c(/C=C(/C(NCc2ccco2)=O)NC(c2ccccc2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.86 |
| logD: | 5.29 |
| logSw: | -6.94 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.61 |
| InChI Key: | URJFWLSHNOXPQE-UHFFFAOYSA-N |