3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (2,5-dioxopyrrolidin-1-yl)acetate
Chemical Structure Depiction of
3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (2,5-dioxopyrrolidin-1-yl)acetate
3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (2,5-dioxopyrrolidin-1-yl)acetate
Compound characteristics
| Compound ID: | D239-0013 |
| Compound Name: | 3-benzoyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (2,5-dioxopyrrolidin-1-yl)acetate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C25 H24 N2 O7 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(CN1C(CCC1=O)=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3698 |
| logD: | 2.3698 |
| logSw: | -3.0555 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.841 |
| InChI Key: | CSQMEWYKLCJGFS-UHFFFAOYSA-N |