methyl [1-(4-fluorophenyl)-5-oxo-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(4-fluorophenyl)-5-oxo-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(4-fluorophenyl)-5-oxo-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | Y600-3802 |
| Compound Name: | methyl [1-(4-fluorophenyl)-5-oxo-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C19 H18 F N3 O3 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1ccc(cc1)F)NCc1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 2.5615 |
| logD: | 2.5611 |
| logSw: | -2.849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.458 |
| InChI Key: | PLDMBTBMLUHOOA-UHFFFAOYSA-N |