N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide
N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | IB04-9326 |
| Compound Name: | N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide |
| Molecular Weight: | 525.05 |
| Molecular Formula: | C31 H29 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc2)nc1c1ccc(cc1)[Cl])\C(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.19 |
| logD: | 4.81 |
| logSw: | -6.24 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.99 |
| InChI Key: | XLVVCSRMGXEGLG-UHFFFAOYSA-N |