ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C700-0118 |
| Compound Name: | ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate |
| Molecular Weight: | 569.72 |
| Molecular Formula: | C33 H35 N3 O4 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5739 |
| logD: | 6.5739 |
| logSw: | -5.5572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.988 |
| InChI Key: | YYEYFSUUOCOFHL-UHFFFAOYSA-N |