ethyl 1-{2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K788-8679 |
| Compound Name: | ethyl 1-{2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C31 H29 F N2 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5525 |
| logD: | 5.5525 |
| logSw: | -5.3594 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.405 |
| InChI Key: | UJAGHDUTNOUGRO-DEOSSOPVSA-N |