{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)cinnolin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)cinnolin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)cinnolin-4-yl]methanone
Compound characteristics
| Compound ID: | F146-1153 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)cinnolin-4-yl]methanone |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C28 H26 N4 O3 |
| Smiles: | [H]c1ccc2c(c1)c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)c(c1ccc(C)cc1)nn2 |
| Stereo: | ACHIRAL |
| logP: | 3.8691 |
| logD: | 3.6776 |
| logSw: | -4.1266 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.5 |
| InChI Key: | AXPISQMBMSLSLW-UHFFFAOYSA-N |