1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-[(3-bromo-4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-[(3-bromo-4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-[(3-bromo-4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 8009-2632 |
| Compound Name: | 1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-3-[(3-bromo-4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 547.45 |
| Molecular Formula: | C28 H27 Br N4 O3 |
| Smiles: | Cc1ccc(cc1[Br])/N=C1C(N(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc\12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1118 |
| logD: | 3.0051 |
| logSw: | -4.9467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.525 |
| InChI Key: | JPHQBRQCOQLFCI-UHFFFAOYSA-N |