3-benzoyl-2-(cyanomethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate
Chemical Structure Depiction of
3-benzoyl-2-(cyanomethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate
3-benzoyl-2-(cyanomethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 5149-0181 |
| Compound Name: | 3-benzoyl-2-(cyanomethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C25 H18 N2 O6 S |
| Smiles: | COc1ccccc1C(=O)OC1=C(C(c2ccccc2)=O)N(CC#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7173 |
| logD: | 3.7173 |
| logSw: | -4.1859 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.207 |
| InChI Key: | YHIHNKBJBHGINB-UHFFFAOYSA-N |