ethyl 1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C700-0500 |
| Compound Name: | ethyl 1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C33 H34 N2 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(\C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5155 |
| logD: | 6.5155 |
| logSw: | -5.5309 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.472 |
| InChI Key: | CZDOWSXWRJKWMO-UHFFFAOYSA-N |