N-[1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxo-3-{[(oxolan-2-yl)methyl]amino}prop-1-en-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxo-3-{[(oxolan-2-yl)methyl]amino}prop-1-en-2-yl]-4-methylbenzamide
N-[1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxo-3-{[(oxolan-2-yl)methyl]amino}prop-1-en-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 2556-2080 |
| Compound Name: | N-[1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxo-3-{[(oxolan-2-yl)methyl]amino}prop-1-en-2-yl]-4-methylbenzamide |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C31 H30 N4 O3 |
| Smiles: | [H]C(=C(/C(N([H])CC1CCCO1)=O)N([H])C(c1ccc(C)cc1)=O)\c1cn(c2ccccc2)nc1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3636 |
| logD: | 3.4604 |
| logSw: | -4.1908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.863 |
| InChI Key: | VAIDHHVTBNFRDL-HHHXNRCGSA-N |