methyl 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
| Compound ID: | K780-0808 |
| Compound Name: | methyl 4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| Molecular Weight: | 313.37 |
| Molecular Formula: | C17 H15 N O3 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccccc1)C(CS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4432 |
| logD: | 3.4432 |
| logSw: | -3.8864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.793 |
| InChI Key: | ZDIFOABVINGWIL-UHFFFAOYSA-N |