N-(4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-(4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0038 |
| Compound Name: | N-(4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C20 H22 F N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(Nc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9206 |
| logD: | 1.92 |
| logSw: | -2.8869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.869 |
| InChI Key: | HQDLJCDXFDBKDV-UHFFFAOYSA-N |