2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E008-0034 |
| Compound Name: | 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C25 H26 N6 O S |
| Smiles: | C1CN(CCN1C(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5483 |
| logD: | 4.5395 |
| logSw: | -4.3013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.988 |
| InChI Key: | AIBCTJXJZHNHPJ-UHFFFAOYSA-N |