4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[2-(2-methylcyclohexyl)ethyl]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-(2-methylcyclohexyl)ethyl]benzamide
4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[2-(2-methylcyclohexyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K788-8903 |
| Compound Name: | 4-[(E)-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]-N-[2-(2-methylcyclohexyl)ethyl]benzamide |
| Molecular Weight: | 545.14 |
| Molecular Formula: | C32 H33 Cl N2 O2 S |
| Smiles: | CC1CCCCC1CCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5542 |
| logD: | 7.5542 |
| logSw: | -6.2958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.516 |
| InChI Key: | NWYBVOWZSOURQL-UHFFFAOYSA-N |