2-[2-(4-methylanilino)(oxo)acetamido]ethyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
Chemical Structure Depiction of
2-[2-(4-methylanilino)(oxo)acetamido]ethyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
2-[2-(4-methylanilino)(oxo)acetamido]ethyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate
Compound characteristics
| Compound ID: | D257-0658 |
| Compound Name: | 2-[2-(4-methylanilino)(oxo)acetamido]ethyl (1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetate |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C20 H19 N3 O7 S |
| Smiles: | Cc1ccc(cc1)NC(C(NCCOC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7383 |
| logD: | 0.6174 |
| logSw: | -2.4569 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.526 |
| InChI Key: | UINICAAPPDWYMC-UHFFFAOYSA-N |