methyl 2-[(8-bromo-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(8-bromo-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
methyl 2-[(8-bromo-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
Compound characteristics
Compound ID: | J099-1161 |
Compound Name: | methyl 2-[(8-bromo-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate |
Molecular Weight: | 441.28 |
Molecular Formula: | C21 H17 Br N2 O4 |
Smiles: | CC1Cc2cc(cc3C(C(=CN1c23)C(Nc1ccccc1C(=O)OC)=O)=O)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2308 |
logD: | 3.2676 |
logSw: | -4.4206 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.457 |
InChI Key: | RUYSPHVVODAJMH-LLVKDONJSA-N |