methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(pyrrolidin-1-yl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(pyrrolidin-1-yl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(pyrrolidin-1-yl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | L811-0103 |
| Compound Name: | methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(pyrrolidin-1-yl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C22 H23 F N2 O4 S |
| Smiles: | CCc1ccc(cc1)N1C=C(C(=O)OC)S(c2cc(c(cc12)N1CCCC1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8478 |
| logD: | 3.8478 |
| logSw: | -4.0115 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.642 |
| InChI Key: | AJYWESONNDIOEO-UHFFFAOYSA-N |