1-(4-benzoyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)-8-ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
1-(4-benzoyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)-8-ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
1-(4-benzoyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)-8-ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
Compound ID: | Y021-3431 |
Compound Name: | 1-(4-benzoyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)-8-ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
Molecular Weight: | 516.64 |
Molecular Formula: | C34 H32 N2 O3 |
Smiles: | CCOc1cc2C(C(N3c2c(c1)C(C)=CC3(C)C)=O)c1c(C(c2ccccc2)=O)c(C)[nH]c1c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 7.0302 |
logD: | 6.9518 |
logSw: | -5.7608 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.722 |
InChI Key: | ZVDHUGHQUGADCG-NDEPHWFRSA-N |