1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | E008-0019 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C28 H31 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0387 |
| logD: | 6.0386 |
| logSw: | -5.3672 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.175 |
| InChI Key: | GACBPFGACAQVIO-UHFFFAOYSA-N |