3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-cyanophenyl)propanamide
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-cyanophenyl)propanamide
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-cyanophenyl)propanamide
Compound characteristics
| Compound ID: | K906-6249 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-cyanophenyl)propanamide |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C16 H12 N4 O3 S2 |
| Smiles: | C(CS(c1cccc2c1nsn2)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3222 |
| logD: | 2.321 |
| logSw: | -2.9919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.161 |
| InChI Key: | VZTVSZQCPURURC-UHFFFAOYSA-N |