methyl 3-{[1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 3-{[1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L483-0476 |
| Compound Name: | methyl 3-{[1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C24 H21 F N4 O3 |
| Smiles: | COC(c1cccc(c1)NC(C1CCN(CC1)c1c(C#N)cnc2ccc(cc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8223 |
| logD: | 3.822 |
| logSw: | -3.8826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.263 |
| InChI Key: | YNVUZEVVUQPFBV-UHFFFAOYSA-N |