3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate
Compound characteristics
| Compound ID: | D239-0002 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl propanoate |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C21 H21 N O5 S |
| Smiles: | CCCN1C(=C(c2ccccc2S1(=O)=O)OC(CC)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9289 |
| logD: | 3.9289 |
| logSw: | -4.0225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.761 |
| InChI Key: | AGDUDBDPMMNHGN-UHFFFAOYSA-N |