1-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | E008-0043 |
| Compound Name: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9846 |
| logD: | 4.9845 |
| logSw: | -4.4558 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.02 |
| InChI Key: | TVCJUPCZOYUTSX-UHFFFAOYSA-N |