4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | F848-0534 |
| Compound Name: | 4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C21 H27 N5 O3 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCCC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.51 |
| logD: | 2.5099 |
| logSw: | -2.9897 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.889 |
| InChI Key: | KDEYPUTUJSDZOG-UHFFFAOYSA-N |