{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid
Compound characteristics
| Compound ID: | C800-0090 |
| Compound Name: | {5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetic acid |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | Cc1ccccc1Cn1c2C(N(CC(O)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3324 |
| logD: | -1.5503 |
| logSw: | -2.3502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.727 |
| InChI Key: | JREYZOWILFNXGW-UHFFFAOYSA-N |