N-{3-[(2-methoxyethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-[(2-methoxyethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
N-{3-[(2-methoxyethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | Y070-0512 |
| Compound Name: | N-{3-[(2-methoxyethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc2)nc1c1cccs1)\C(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3601 |
| logD: | 3.4366 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.683 |
| InChI Key: | UBWIVWCSMUKVKT-UHFFFAOYSA-N |