methyl 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0023 |
| Compound Name: | methyl 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H20 N2 O7 S |
| Smiles: | COC(C1=C(c2ccccc2)c2ccccc2S(N1CC(Nc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0101 |
| logD: | 4.0101 |
| logSw: | -4.2574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.839 |
| InChI Key: | BFYZPQVUCDROBK-UHFFFAOYSA-N |