1-(3-amino-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-8-fluoro-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
1-(3-amino-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-8-fluoro-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
1-(3-amino-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-8-fluoro-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-3513 |
| Compound Name: | 1-(3-amino-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-8-fluoro-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C29 H25 F N4 O2 |
| Smiles: | CC1(CC(C)(C)N2C(C(=C3/C(N)=NN(C3=O)c3ccccc3)/c3cc(cc1c23)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6374 |
| logD: | 4.6373 |
| logSw: | -4.7538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.873 |
| InChI Key: | YWWHVDLNRBCAMT-LJAQVGFWSA-N |