methyl 4-(2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
methyl 4-(2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Compound characteristics
| Compound ID: | L807-0041 |
| Compound Name: | methyl 4-(2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C17 H12 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)N1C=C(C#N)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9633 |
| logD: | 1.9633 |
| logSw: | -2.3869 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.18 |
| InChI Key: | FPRBQQFLWRWKKB-UHFFFAOYSA-N |