5-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
5-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
5-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | C884-1478 |
| Compound Name: | 5-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxobutan-2-yl)-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Smiles: | CCC(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)n1c2C(N(C)N=Cc2c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.596 |
| logD: | 2.3197 |
| logSw: | -2.8755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.878 |
| InChI Key: | QBHSLIMLKROUOO-NRFANRHFSA-N |