N-[1-(adamantan-1-yl)ethyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]benzamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]benzamide
N-[1-(adamantan-1-yl)ethyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]benzamide
Compound characteristics
| Compound ID: | K788-9609 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-[(E)-{4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl]benzamide |
| Molecular Weight: | 562.78 |
| Molecular Formula: | C36 H38 N2 O2 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.3341 |
| logD: | 8.3341 |
| logSw: | -5.6793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.679 |
| InChI Key: | VAFORTITMGBBDH-GERRJFLASA-N |