N-[2-(azepan-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamide
N-[2-(azepan-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0468 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C20 H32 N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCCC(NCCN1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6791 |
| logD: | -1.0197 |
| logSw: | -2.3949 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.933 |
| InChI Key: | JXPNUEQYUVKBLK-UHFFFAOYSA-N |