ethyl 1-{2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-4-carboxylate
ethyl 1-{2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C700-0651 |
| Compound Name: | ethyl 1-{2-[(3-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc2c(c1)NC(/C(=C\c1cccc(C)c1)S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2944 |
| logD: | 4.2944 |
| logSw: | -4.1374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.246 |
| InChI Key: | YLSQUOJRUCVOGX-UHFFFAOYSA-N |