ethyl {4-[3-amino-1-(4-chlorophenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
ethyl {4-[3-amino-1-(4-chlorophenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
ethyl {4-[3-amino-1-(4-chlorophenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
Compound ID: | 8020-8490 |
Compound Name: | ethyl {4-[3-amino-1-(4-chlorophenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate |
Molecular Weight: | 351.79 |
Molecular Formula: | C16 H18 Cl N3 O4 |
Smiles: | CCOC(CC1=C(C(CC(N)=O)c2ccc(cc2)[Cl])C(NN1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.0156 |
logD: | 1.0156 |
logSw: | -2.7645 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 95.074 |
InChI Key: | PNVVYTHLTUDCEM-LLVKDONJSA-N |