methyl N-([(4-ethylphenyl)methyl]{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-([(4-ethylphenyl)methyl]{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl)-beta-alaninate
methyl N-([(4-ethylphenyl)methyl]{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E002-1556 |
| Compound Name: | methyl N-([(4-ethylphenyl)methyl]{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Smiles: | CCc1ccc(CN(Cc2c[nH]nc2c2ccc(cc2)OC)C(NCCC(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9348 |
| logD: | 3.9348 |
| logSw: | -3.9805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.747 |
| InChI Key: | ODWSAMYXTJHUDM-UHFFFAOYSA-N |