N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8739 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C31 H23 F N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1858 |
| logD: | 6.1858 |
| logSw: | -6.1117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.598 |
| InChI Key: | HYLFLGOTWUSDON-UHFFFAOYSA-N |