methyl 3-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]thiophene-2-carboxylate
methyl 3-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E717-0532 |
| Compound Name: | methyl 3-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C18 H14 N4 O4 S |
| Smiles: | COC(c1c(ccs1)NC(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6753 |
| logD: | 1.661 |
| logSw: | -2.6039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.084 |
| InChI Key: | QVABGCITZTXHSK-UHFFFAOYSA-N |