ethyl 1-{1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxylate
ethyl 1-{1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | 8016-2100 |
| Compound Name: | ethyl 1-{1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxylate |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CCOC(C1CCN(CC1)C(\C)=C1/C(C)=NN(C1=O)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4734 |
| logD: | 2.4464 |
| logSw: | -2.568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.84 |
| InChI Key: | FKEYFLHBZSMDPZ-UHFFFAOYSA-N |