methyl 4-{[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
methyl 4-{[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | E786-1223 |
| Compound Name: | methyl 4-{[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C19 H18 N2 O7 S2 |
| Smiles: | COC(CN1C(CSc2ccc(cc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3626 |
| logD: | 1.7784 |
| logSw: | -2.8964 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.293 |
| InChI Key: | XVWQLZGHMKFMSG-UHFFFAOYSA-N |