ethyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate
ethyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | G549-0126 |
| Compound Name: | ethyl 5-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C21 H25 N3 O6 S2 |
| Smiles: | CCOC(c1cc(CN2C(CSc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3918 |
| logD: | 3.3918 |
| logSw: | -3.9306 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.392 |
| InChI Key: | WBFAJKLFMWLNNP-UHFFFAOYSA-N |