methyl 2-[2-(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-(2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-[2-(2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0002 |
| Compound Name: | methyl 2-[2-(2-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | Cc1ccccc1NC(CN1C(=C(c2ccccc2)c2ccccc2S1(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9718 |
| logD: | 3.9718 |
| logSw: | -4.1927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.026 |
| InChI Key: | NKNMYHROJMVYQE-UHFFFAOYSA-N |