ethyl 5-tert-butyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-tert-butyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-tert-butyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V014-9013 |
| Compound Name: | ethyl 5-tert-butyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | CCOC(c1cc(C(C)(C)C)n(c2ccc(cc2)C(NCCCCc2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5248 |
| logD: | 5.5248 |
| logSw: | -5.3032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.341 |
| InChI Key: | QFHLXGHBIOYEIQ-UHFFFAOYSA-N |