ethyl 5-(3-methylbutyl)-1-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-methylbutyl)-1-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
ethyl 5-(3-methylbutyl)-1-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V011-5648 |
| Compound Name: | ethyl 5-(3-methylbutyl)-1-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(NCc2ccccc2C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7446 |
| logD: | 5.7444 |
| logSw: | -5.4385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.981 |
| InChI Key: | VHXNOLVBXDXZEI-UHFFFAOYSA-N |