methyl 3-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G211-0232 |
| Compound Name: | methyl 3-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | COC(c1c(ccs1)NC(c1c2CN(C3CCCCC3)C(c2nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4341 |
| logD: | 3.4424 |
| logSw: | -4.4647 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.05 |
| InChI Key: | LLNSYUXZQHYCEH-UHFFFAOYSA-N |