N-[3-(methylsulfanyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
N-[3-(methylsulfanyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
Compound characteristics
| Compound ID: | D003-0034 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C14 H11 N3 O S2 |
| Smiles: | CSc1cccc(c1)NC(c1ccc2c(c1)nns2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3871 |
| logD: | 3.387 |
| logSw: | -3.8717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.911 |
| InChI Key: | AOFKTBDHYQCHJI-UHFFFAOYSA-N |