methyl 4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
Compound ID: | K780-0621 |
Compound Name: | methyl 4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
Molecular Weight: | 327.4 |
Molecular Formula: | C18 H17 N O3 S |
Smiles: | Cc1ccc(CN2C(CSc3ccc(cc23)C(=O)OC)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.8665 |
logD: | 3.8665 |
logSw: | -3.996 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 36.793 |
InChI Key: | ARXZHYKZZMWJIP-UHFFFAOYSA-N |