methyl 3-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carbonyl]amino}benzoate
methyl 3-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P505-1981 |
| Compound Name: | methyl 3-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydrocinnoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C23 H16 F N3 O4 |
| Smiles: | COC(c1cccc(c1)NC(C1C(c2ccccc2N(c2ccc(cc2)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4711 |
| logD: | 4.4709 |
| logSw: | -4.4757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.675 |
| InChI Key: | ODRPPQSJGPEGCX-UHFFFAOYSA-N |