4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | F848-0004 |
| Compound Name: | 4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C21 H22 F3 N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9348 |
| logD: | 2.9323 |
| logSw: | -3.5492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.869 |
| InChI Key: | HSMWCPRGXLETHL-UHFFFAOYSA-N |