methyl 2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
Compound ID: | K783-6124 |
Compound Name: | methyl 2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
Molecular Weight: | 345.8 |
Molecular Formula: | C17 H12 Cl N O3 S |
Smiles: | COC(c1ccc2c(c1)NC(/C(=C/c1cccc(c1)[Cl])S2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5891 |
logD: | 4.5891 |
logSw: | -4.7324 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.018 |
InChI Key: | SJMQUJMKTOHDSS-UHFFFAOYSA-N |