N-(3-acetylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-(3-acetylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0137 |
| Compound Name: | N-(3-acetylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | CC(c1cccc(c1)NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7879 |
| logD: | 4.787 |
| logSw: | -4.4365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.799 |
| InChI Key: | QGEHVHVUMYMGGS-UHFFFAOYSA-N |