2-(4-methylphenyl)-2-oxoethyl 5-(adamantan-1-yl)-1-phenyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2-(4-methylphenyl)-2-oxoethyl 5-(adamantan-1-yl)-1-phenyl-1H-pyrazole-3-carboxylate
2-(4-methylphenyl)-2-oxoethyl 5-(adamantan-1-yl)-1-phenyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8011-4656 |
| Compound Name: | 2-(4-methylphenyl)-2-oxoethyl 5-(adamantan-1-yl)-1-phenyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C29 H30 N2 O3 |
| Smiles: | Cc1ccc(cc1)C(COC(c1cc(C23CC4CC(CC(C4)C3)C2)n(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5414 |
| logD: | 6.5414 |
| logSw: | -5.7718 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.199 |
| InChI Key: | XUEIUATWJAPPNF-UHFFFAOYSA-N |