methyl 2-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
methyl 2-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | F080-1063 |
| Compound Name: | methyl 2-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | COC(c1ccccc1Nc1c(cnc2ccccc12)C(N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4211 |
| logD: | 3.4163 |
| logSw: | -3.6118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.732 |
| InChI Key: | DBQUSDCPKPCEDK-UHFFFAOYSA-N |