ethyl 4-bromo-1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-bromo-1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
ethyl 4-bromo-1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V016-6073 |
| Compound Name: | ethyl 4-bromo-1-{4-[(heptan-4-yl)carbamoyl]phenyl}-5-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 450.37 |
| Molecular Formula: | C21 H28 Br N3 O3 |
| Smiles: | CCCC(CCC)NC(c1ccc(cc1)n1c(C)c(c(C(=O)OCC)n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8929 |
| logD: | 4.8929 |
| logSw: | -4.5587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.197 |
| InChI Key: | JZVHVGYEAGXZON-UHFFFAOYSA-N |