methyl 2-{2-[(2-acetamidobenzoyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(2-acetamidobenzoyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(2-acetamidobenzoyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 5493-0005 |
| Compound Name: | methyl 2-{2-[(2-acetamidobenzoyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H17 N3 O6 S |
| Smiles: | CC(Nc1ccccc1C(=O)OCC(Nc1nc2ccc(cc2s1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8968 |
| logD: | 2.8916 |
| logSw: | -3.4323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.745 |
| InChI Key: | VVQXRNZWQWKESL-UHFFFAOYSA-N |