N-[(2-chlorophenyl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[(2-chlorophenyl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
Compound ID: | K788-6260 |
Compound Name: | N-[(2-chlorophenyl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
Molecular Weight: | 525.07 |
Molecular Formula: | C31 H25 Cl N2 O2 S |
Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCc3ccccc3[Cl])=O)Sc3ccccc23)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 7.3472 |
logD: | 7.3471 |
logSw: | -6.2288 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.483 |
InChI Key: | LGRIVUHHMVHEOG-UHFFFAOYSA-N |