{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | C883-0043 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C26 H25 N5 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7884 |
| logD: | 3.5968 |
| logSw: | -3.778 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.399 |
| InChI Key: | XTFBXHWYNUQHDR-UHFFFAOYSA-N |