ethyl 1-{2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
Compound ID: | C700-0538 |
Compound Name: | ethyl 1-{2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-3-carboxylate |
Molecular Weight: | 450.56 |
Molecular Formula: | C25 H26 N2 O4 S |
Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)NC(/C(=C\c1ccc(C)cc1)S2)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2798 |
logD: | 4.2798 |
logSw: | -4.1828 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.18 |
InChI Key: | DEMAGNOFOPKKOF-IBGZPJMESA-N |