N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9301 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C32 H26 N2 O4 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6735 |
| logD: | 6.6735 |
| logSw: | -5.5803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.598 |
| InChI Key: | VQNNSZJBRAIFSQ-UHFFFAOYSA-N |