N-{[4-(methylsulfanyl)phenyl]methyl}-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C799-0499 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C24 H24 N4 O S2 |
| Smiles: | CSc1ccc(CNC(CSCc2cnn(c3ccccc3)c2n2cccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4476 |
| logD: | 5.4476 |
| logSw: | -5.3092 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.295 |
| InChI Key: | PSYWKLBNJDLIFW-UHFFFAOYSA-N |