ethyl 4-{2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperazine-1-carboxylate
ethyl 4-{2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K788-8860 |
| Compound Name: | ethyl 4-{2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)NC(/C(=C\c1ccc(c(c1)OC)OC)S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0441 |
| logD: | 3.0441 |
| logSw: | -3.5067 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.534 |
| InChI Key: | JJLMQRVTGFNERM-UHFFFAOYSA-N |