(2Z)-N-[1-(adamantan-1-yl)ethyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
(2Z)-N-[1-(adamantan-1-yl)ethyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
(2Z)-N-[1-(adamantan-1-yl)ethyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9746 |
| Compound Name: | (2Z)-N-[1-(adamantan-1-yl)ethyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| 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(c1ccc2c(c1)N(Cc1cccc(C)c1)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.436 |
| logD: | 8.436 |
| logSw: | -5.6621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.679 |
| InChI Key: | PEWVWEZPIHLTDH-GERRJFLASA-N |