4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide
Chemical Structure Depiction of
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide
Compound characteristics
| Compound ID: | F848-0548 |
| Compound Name: | 4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCCC(Nc1cc(C)ccc1OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8859 |
| logD: | 1.8858 |
| logSw: | -2.7928 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.821 |
| InChI Key: | LNLLBWSEIUNPDX-UHFFFAOYSA-N |