3-[4-(dimethylamino)phenyl]-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-[4-(dimethylamino)phenyl]-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
3-[4-(dimethylamino)phenyl]-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V015-6396 |
Compound Name: | 3-[4-(dimethylamino)phenyl]-4-[4-(3,3-dimethylbutanamido)phenyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl acetate |
Molecular Weight: | 528.63 |
Molecular Formula: | C31 H33 F N4 O3 |
Salt: | not_available |
Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(CC(C)(C)C)=O)c(c2ccc(cc2)N(C)C)nn1c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 6.4419 |
logD: | 6.4418 |
logSw: | -5.845 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.528 |
InChI Key: | LTWUJWWWGLFZPX-UHFFFAOYSA-N |