3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate
Compound characteristics
| Compound ID: | 5149-0175 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl benzoate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C25 H19 N O5 S |
| Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccccc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5706 |
| logD: | 4.5706 |
| logSw: | -4.706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.085 |
| InChI Key: | JYUDDTYIGIRYRH-UHFFFAOYSA-N |