5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | C884-2610 |
| Compound Name: | 5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Smiles: | CN1C(c2c(C=N1)c1ccccc1n2CCCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9426 |
| logD: | 1.5984 |
| logSw: | -2.5501 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.049 |
| InChI Key: | TWBUIFWLLIIPEY-UHFFFAOYSA-N |