ethyl 5-(4-bromophenyl)-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-bromophenyl)-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(4-bromophenyl)-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-4886 |
| Compound Name: | ethyl 5-(4-bromophenyl)-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 526.47 |
| Molecular Formula: | C27 H32 Br N3 O3 |
| Smiles: | CCCCC(CC)CNC(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.346 |
| logD: | 7.346 |
| logSw: | -5.7606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.5 |
| InChI Key: | MQYSLQAZHVJCMI-IBGZPJMESA-N |