methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | F080-1293 |
| Compound Name: | methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Smiles: | COC(c1ccc(cc1)Nc1c(cnc2ccc(cc12)[Cl])C(N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1415 |
| logD: | 4.1367 |
| logSw: | -4.42 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.43 |
| InChI Key: | BAFADNZCJLNKLO-UHFFFAOYSA-N |