methyl {5-[(2,5-dimethylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetate
Chemical Structure Depiction of
methyl {5-[(2,5-dimethylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetate
methyl {5-[(2,5-dimethylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetate
Compound characteristics
| Compound ID: | C800-0126 |
| Compound Name: | methyl {5-[(2,5-dimethylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetate |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | Cc1ccc(C)c(Cn2c3C(N(CC(=O)OC)N=Cc3c3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9239 |
| logD: | 3.9239 |
| logSw: | -4.0001 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.922 |
| InChI Key: | KUMLYHJHJBXORW-UHFFFAOYSA-N |