N-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-N'-[3-(methylsulfanyl)phenyl]urea
N-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | L438-0072 |
| Compound Name: | N-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H21 F N4 O S |
| Smiles: | CSc1cccc(c1)NC(Nc1cc(c2c(ccc(n2)N2CCCC2)c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7521 |
| logD: | 5.752 |
| logSw: | -5.7702 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.924 |
| InChI Key: | IXNXZDUUFBWPQR-UHFFFAOYSA-N |