ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]benzoate
ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]benzoate
Compound characteristics
Compound ID: | C270-0572 |
Compound Name: | ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]benzoate |
Molecular Weight: | 394.43 |
Molecular Formula: | C21 H22 N4 O4 |
Smiles: | CCOC(c1cccc(c1)NC(NC1=C(C)N(C)N(C1=O)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9152 |
logD: | 2.9079 |
logSw: | -3.3973 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.676 |
InChI Key: | FHRQEZPUHFDWNG-UHFFFAOYSA-N |