butyl 4-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Chemical Structure Depiction of
butyl 4-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
butyl 4-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C114-0071 |
| Compound Name: | butyl 4-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C20 H20 N2 O6 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.071 |
| logD: | 3.0709 |
| logSw: | -3.5707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.381 |
| InChI Key: | FQFYIEXWABJJKN-UHFFFAOYSA-N |