1-[({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetyl]piperidine-4-carboxamide
1-[({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E008-0010 |
| Compound Name: | 1-[({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetyl]piperidine-4-carboxamide |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | C1CN(CCC1C(N)=O)C(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6251 |
| logD: | 2.6251 |
| logSw: | -2.6996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.275 |
| InChI Key: | QIQLXOAOADMHDH-UHFFFAOYSA-N |