methyl 4-methyl-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
methyl 4-methyl-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 6423-0637 |
| Compound Name: | methyl 4-methyl-3-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C18 H16 N2 O6 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5375 |
| logD: | 1.5375 |
| logSw: | -2.7194 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.809 |
| InChI Key: | TZLPHVXXTVZDEU-UHFFFAOYSA-N |