ethyl 1-{4-[bis(3-methylbutyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[bis(3-methylbutyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[bis(3-methylbutyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V011-9620 |
| Compound Name: | ethyl 1-{4-[bis(3-methylbutyl)carbamoyl]phenyl}-5-(4-bromophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 554.53 |
| Molecular Formula: | C29 H36 Br N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)[Br])n(c2ccc(cc2)C(N(CCC(C)C)CCC(C)C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.542 |
| logD: | 7.542 |
| logSw: | -5.6301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.255 |
| InChI Key: | JVPPQFWJTKPNHX-UHFFFAOYSA-N |