1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxamide
1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C700-0282 |
| Compound Name: | 1-[4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperidine-4-carboxamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCC(CC3)C(N)=O)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9826 |
| logD: | 4.9826 |
| logSw: | -4.649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.777 |
| InChI Key: | KPFOHFJXPAFYBG-UHFFFAOYSA-N |