ethyl 1-{4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-1910 |
| Compound Name: | ethyl 1-{4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(NC2Cc3ccccc3C2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5788 |
| logD: | 5.5788 |
| logSw: | -5.4809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.801 |
| InChI Key: | WFEHNEMQIJXELH-UHFFFAOYSA-N |