3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | C880-1529 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C28 H32 N4 O2 |
| Smiles: | Cc1cc(C)c(Cn2c3C(N(CC(N4CCCCCC4)=O)N=Cc3c3ccccc23)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2725 |
| logD: | 5.2725 |
| logSw: | -5.3593 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.795 |
| InChI Key: | HFQRKEISMZLJPN-UHFFFAOYSA-N |