methyl 2-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 2-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
methyl 2-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1318 |
| Compound Name: | methyl 2-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H24 N4 O3 |
| Salt: | HCl |
| Smiles: | COC(c1ccccc1NC(c1cnn(c2ccccc2)c1C1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3778 |
| logD: | -1.1032 |
| logSw: | -3.0126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.781 |
| InChI Key: | XQYBKJLYHLOMLF-UHFFFAOYSA-N |