3-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | E717-0647 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7025 |
| logD: | 1.7025 |
| logSw: | -2.471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.164 |
| InChI Key: | GVBDIXCTHNGBEJ-UHFFFAOYSA-N |