{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
Chemical Structure Depiction of
{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
{4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
Compound characteristics
| Compound ID: | C800-0084 |
| Compound Name: | {4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | Cc1cc(C)c(Cn2c3C(N(CC(O)=O)N=Cc3c3ccccc23)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1311 |
| logD: | -0.7515 |
| logSw: | -2.9849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.727 |
| InChI Key: | KDXJYCFWPSBNJV-UHFFFAOYSA-N |