N-[3-(4-methylpiperazin-1-yl)propyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-[3-(4-methylpiperazin-1-yl)propyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0204 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C24 H32 N6 O S |
| Smiles: | CN1CCN(CCCNC(CSCc2cnn(c3ccccc3)c2n2cccc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6783 |
| logD: | 1.4737 |
| logSw: | -2.7671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.596 |
| InChI Key: | RSTFYYSKLJCSLN-UHFFFAOYSA-N |