methyl 2-({3-[(2,1,3-benzothiadiazol-4-yl)carbamoyl]phenyl}sulfamoyl)benzoate
Chemical Structure Depiction of
methyl 2-({3-[(2,1,3-benzothiadiazol-4-yl)carbamoyl]phenyl}sulfamoyl)benzoate
methyl 2-({3-[(2,1,3-benzothiadiazol-4-yl)carbamoyl]phenyl}sulfamoyl)benzoate
Compound characteristics
| Compound ID: | L990-1121 |
| Compound Name: | methyl 2-({3-[(2,1,3-benzothiadiazol-4-yl)carbamoyl]phenyl}sulfamoyl)benzoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C21 H16 N4 O5 S2 |
| Smiles: | COC(c1ccccc1S(Nc1cccc(c1)C(Nc1cccc2c1nsn2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9787 |
| logD: | 3.8712 |
| logSw: | -4.2608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.408 |
| InChI Key: | XAGKWFHVSOWREN-UHFFFAOYSA-N |