ethyl 5-(4-bromophenyl)-1-{4-[butyl(ethyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-bromophenyl)-1-{4-[butyl(ethyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(4-bromophenyl)-1-{4-[butyl(ethyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
Compound ID: | V003-5636 |
Compound Name: | ethyl 5-(4-bromophenyl)-1-{4-[butyl(ethyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
Molecular Weight: | 498.42 |
Molecular Formula: | C25 H28 Br N3 O3 |
Smiles: | CCCCN(CC)C(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 6.031 |
logD: | 6.031 |
logSw: | -5.4426 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.001 |
InChI Key: | ASTNXCIXIXOGKK-UHFFFAOYSA-N |