2-benzylidene-N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9775 |
| Compound Name: | 2-benzylidene-N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 581.82 |
| Molecular Formula: | C36 H43 N3 O2 S |
| Smiles: | CCC(C)N(CCNC(c1ccc2c(c1)N(Cc1cccc(C)c1)C(/C(=C/c1ccccc1)S2)=O)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4648 |
| logD: | 7.0313 |
| logSw: | -5.4121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.751 |
| InChI Key: | ZKHYBJAEAGBVPB-MHZLTWQESA-N |