methyl 4-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
methyl 4-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | F080-1095 |
| Compound Name: | methyl 4-{[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)Nc1c(cnc2ccccc12)C(N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3495 |
| logD: | 3.3447 |
| logSw: | -3.4699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.43 |
| InChI Key: | WWMVUCJDEBABCS-UHFFFAOYSA-N |