tert-butyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
Chemical Structure Depiction of
tert-butyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
tert-butyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 6177-1454 |
| Compound Name: | tert-butyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate |
| Molecular Weight: | 297.33 |
| Molecular Formula: | C13 H15 N O5 S |
| Smiles: | CC(C)(C)OC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3788 |
| logD: | 1.3788 |
| logSw: | -2.3899 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.724 |
| InChI Key: | DMEBBWKNQGJMGE-UHFFFAOYSA-N |