methyl 2-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
methyl 2-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | C481-0565 |
| Compound Name: | methyl 2-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzoate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | CN(CC(Nc1ccccc1C(=O)OC)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2744 |
| logD: | 2.1595 |
| logSw: | -3.0043 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.381 |
| InChI Key: | VHDSTKOYHLPGOG-UHFFFAOYSA-N |