ethyl 5-benzoyl-4-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzoyl-4-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
ethyl 5-benzoyl-4-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Compound characteristics
Compound ID: | 3849-0589 |
Compound Name: | ethyl 5-benzoyl-4-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate |
Molecular Weight: | 401.26 |
Molecular Formula: | C19 H17 Br N2 O3 |
Smiles: | CCOC(C1C(C(C(c2ccccc2)=O)NN=1)c1cccc(c1)[Br])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.4717 |
logD: | 4.2729 |
logSw: | -4.2413 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.407 |
InChI Key: | QYBQFTMLEKPLQQ-UHFFFAOYSA-N |