2-(diethylamino)ethyl 4-[2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
2-(diethylamino)ethyl 4-[2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E902-0203 |
| Compound Name: | 2-(diethylamino)ethyl 4-[2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(CN1C(c2c(C=N1)c1cc(C)ccc1[nH]2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6459 |
| logD: | 2.6775 |
| logSw: | -3.8464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.049 |
| InChI Key: | LNEGTBJSACCIII-UHFFFAOYSA-N |