methyl 2-({1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}amino)benzoate
methyl 2-({1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C883-0912 |
| Compound Name: | methyl 2-({1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | COC(c1ccccc1NC(C1CCCN(C1)C(c1cnn(c2ccccc2)c1n1cccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0296 |
| logD: | 3.95 |
| logSw: | -4.0808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.244 |
| InChI Key: | LZTSXWHKAJEDIK-FQEVSTJZSA-N |