methyl 2-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0036 |
| Compound Name: | methyl 2-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C25 H21 F N2 O5 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(=C(c2ccccc2)c2ccccc2S1(=O)=O)C(=O)OC)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.0993 |
| logD: | 4.0992 |
| logSw: | -4.2593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.026 |
| InChI Key: | PAUCNKFXUYQUSU-UHFFFAOYSA-N |