3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | E008-1156 |
| Compound Name: | 3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C26 H28 N6 O S |
| Smiles: | C(CSCc1cnn(c2ccccc2)c1n1cccc1)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4752 |
| logD: | 4.4664 |
| logSw: | -4.2466 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.988 |
| InChI Key: | NSKKWBPAGWFZBS-UHFFFAOYSA-N |