ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V015-3469 |
| Compound Name: | ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C26 H30 Br N3 O3 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(NC(C)c2ccc(cc2)[Br])=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9458 |
| logD: | 5.9457 |
| logSw: | -5.5144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.144 |
| InChI Key: | CGDFAQKVMGAQDY-SFHVURJKSA-N |