3-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | E902-0032 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1C=NN(CC(N3CCCCCC3)=O)C(c1[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1713 |
| logD: | 2.1713 |
| logSw: | -2.8064 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.164 |
| InChI Key: | NTKFIAPISGQLDY-UHFFFAOYSA-N |