3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | E902-0077 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | Cc1ccc2c(c1)c1C=NN(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(c1[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8629 |
| logD: | 1.6713 |
| logSw: | -2.6221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.489 |
| InChI Key: | ZVBSUSAFHCJAOR-UHFFFAOYSA-N |