ethyl 4-bromo-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-bromo-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
ethyl 4-bromo-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V014-8989 |
| Compound Name: | ethyl 4-bromo-1-{4-[(2-ethylhexyl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 464.4 |
| Molecular Formula: | C22 H30 Br N3 O3 |
| Smiles: | CCCCC(CC)CNC(c1ccc(cc1)n1c(C)c(c(C(=O)OCC)n1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3651 |
| logD: | 5.3651 |
| logSw: | -5.4502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.289 |
| InChI Key: | CKYFRKHERZRNAR-INIZCTEOSA-N |