ethyl 4-[(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)amino]benzoate
ethyl 4-[(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E009-0096 |
| Compound Name: | ethyl 4-[(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C29 H31 N5 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CCN(CC1)Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8566 |
| logD: | 1.4892 |
| logSw: | -4.1994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.673 |
| InChI Key: | QLYXODHKIPLFKH-UHFFFAOYSA-N |