N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C308-0614 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C31 H23 F N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)F)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0839 |
| logD: | 6.0839 |
| logSw: | -6.0804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.598 |
| InChI Key: | WBRIOWGXZSEZGI-UHFFFAOYSA-N |