ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-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)benzoyl]piperazine-1-carboxylate
ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C700-0130 |
| Compound Name: | ethyl 4-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 555.7 |
| Molecular Formula: | C32 H33 N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1407 |
| logD: | 6.1407 |
| logSw: | -5.449 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.498 |
| InChI Key: | VHAOCZFKORSHRJ-UHFFFAOYSA-N |