N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
Compound ID: | K788-7237 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
Molecular Weight: | 460.51 |
Molecular Formula: | C25 H20 N2 O5 S |
Smiles: | COc1cccc(\C=C2/C(Nc3cc(ccc3S2)C(NCc2ccc3c(c2)OCO3)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.4459 |
logD: | 4.4459 |
logSw: | -4.4016 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.917 |
InChI Key: | BLWXNXQZIKJCAP-UHFFFAOYSA-N |