N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)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-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)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: | 4428-0236 |
| Compound Name: | N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C28 H26 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc2)nc1c1cccs1)\C(NC1CCS(C1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4925 |
| logD: | 2.5872 |
| logSw: | -3.7574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.39 |
| InChI Key: | WCABXMDYVIKCEM-JOCHJYFZSA-N |