ethyl 4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K788-3032 |
| Compound Name: | ethyl 4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9976 |
| logD: | 2.9976 |
| logSw: | -3.4108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.273 |
| InChI Key: | HLWPSJYQGPABDL-UHFFFAOYSA-N |