4-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0022 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C=C(C#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5453 |
| logD: | 1.5453 |
| logSw: | -2.2953 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.268 |
| InChI Key: | XPJUKOXFZSZFNN-UHFFFAOYSA-N |