2-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-cyclooctylpropanamide
Chemical Structure Depiction of
2-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-cyclooctylpropanamide
2-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-cyclooctylpropanamide
Compound characteristics
| Compound ID: | C493-0122 |
| Compound Name: | 2-{4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-cyclooctylpropanamide |
| Molecular Weight: | 471.06 |
| Molecular Formula: | C26 H31 Cl N2 O2 S |
| Smiles: | CC(C1C(N(Cc2cccc(c2)[Cl])c2ccccc2S1)=O)C(NC1CCCCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.501 |
| logD: | 6.501 |
| logSw: | -6.0266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.811 |
| InChI Key: | PMZIZUOLQSVDDD-UHFFFAOYSA-N |