4-[2-(3,4-dimethoxybenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[2-(3,4-dimethoxybenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
4-[2-(3,4-dimethoxybenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | F390-0562 |
| Compound Name: | 4-[2-(3,4-dimethoxybenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H18 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)C(C1=CN(c2ccc(C#N)cc2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8034 |
| logD: | 2.8034 |
| logSw: | -3.546 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.735 |
| InChI Key: | XUKSSQQGVKHUQM-UHFFFAOYSA-N |