tert-butyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
tert-butyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
Compound ID: | C200-7381 |
Compound Name: | tert-butyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
Molecular Weight: | 403.47 |
Molecular Formula: | C21 H22 F N O4 S |
Smiles: | CCc1ccc(cc1)N1C=C(C(=O)OC(C)(C)C)S(c2cc(ccc12)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.442 |
logD: | 4.442 |
logSw: | -4.389 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 50.814 |
InChI Key: | OJEJUOZSIDXKJO-UHFFFAOYSA-N |