methyl N-[(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetyl]methioninate
Chemical Structure Depiction of
methyl N-[(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetyl]methioninate
methyl N-[(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetyl]methioninate
Compound characteristics
| Compound ID: | E717-0535 |
| Compound Name: | methyl N-[(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetyl]methioninate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | COC(C(CCSC)NC(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.751 |
| logD: | 0.751 |
| logSw: | -2.3375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.988 |
| InChI Key: | UCXGSBQIUXUPME-AWEZNQCLSA-N |