methyl 2-[2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
methyl 2-[2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C880-0666 |
| Compound Name: | methyl 2-[2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzoate |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C27 H22 N4 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9964 |
| logD: | 3.9897 |
| logSw: | -4.2069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.697 |
| InChI Key: | BXKBHKIYSWTWPT-UHFFFAOYSA-N |