4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Chemical Structure Depiction of
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Compound characteristics
| Compound ID: | F848-0542 |
| Compound Name: | 4-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0216 |
| logD: | 1.0214 |
| logSw: | -2.4629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.712 |
| InChI Key: | VIXMQPKLMUQIIQ-UHFFFAOYSA-N |