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}benzamide
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}benzamide
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}benzamide
Compound characteristics
| Compound ID: | 4428-0232 |
| 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}benzamide |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C27 H24 N4 O4 S2 |
| Smiles: | C1CS(CC1NC(/C(=C/c1cn(c2ccccc2)nc1c1cccs1)NC(c1ccccc1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9641 |
| logD: | 2.1452 |
| logSw: | -3.5261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.39 |
| InChI Key: | QQRXRTMTEJSDPN-OAQYLSRUSA-N |