methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonyl)acetamido]benzoate
methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G845-0122 |
| Compound Name: | methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonyl)acetamido]benzoate |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C16 H13 N3 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4725 |
| logD: | 2.4723 |
| logSw: | -2.7082 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.279 |
| InChI Key: | GUMZWGFTKYPLSZ-UHFFFAOYSA-N |