4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-(2-methylcyclohexyl)benzamide
Chemical Structure Depiction of
4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-(2-methylcyclohexyl)benzamide
4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-(2-methylcyclohexyl)benzamide
Compound characteristics
| Compound ID: | K788-9019 |
| Compound Name: | 4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-(2-methylcyclohexyl)benzamide |
| Molecular Weight: | 517.09 |
| Molecular Formula: | C30 H29 Cl N2 O2 S |
| Smiles: | CC1CCCCC1NC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4482 |
| logD: | 7.4482 |
| logSw: | -6.292 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.598 |
| InChI Key: | NQRJXTMHPLZAGH-UHFFFAOYSA-N |