ethyl 4-bromo-5-methyl-1-{4-[(3-phenylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-bromo-5-methyl-1-{4-[(3-phenylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 4-bromo-5-methyl-1-{4-[(3-phenylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V006-1347 |
| Compound Name: | ethyl 4-bromo-5-methyl-1-{4-[(3-phenylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 470.37 |
| Molecular Formula: | C23 H24 Br N3 O3 |
| Smiles: | CCOC(c1c(c(C)n(c2ccc(cc2)C(NCCCc2ccccc2)=O)n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6061 |
| logD: | 4.6061 |
| logSw: | -4.3181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.859 |
| InChI Key: | SCTDOYHXCXOCCE-UHFFFAOYSA-N |