methyl [(4Z)-1-(4-fluorophenyl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [(4Z)-1-(4-fluorophenyl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [(4Z)-1-(4-fluorophenyl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | IB08-0850 |
| Compound Name: | methyl [(4Z)-1-(4-fluorophenyl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C20 H25 F N4 O4 |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1ccc(cc1)F)NCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 0.89 |
| logD: | 0.32 |
| logSw: | -1.68 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.89 |
| InChI Key: | SDNMMDOMIZWOGW-UHFFFAOYSA-N |