N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C312-0453 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H19 F N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C/c2ccccc2F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7376 |
| logD: | 4.7376 |
| logSw: | -4.6996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.657 |
| InChI Key: | QAFVSHTZTLMMKH-UHFFFAOYSA-N |