N-[(4-fluorophenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[(4-fluorophenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0085 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C21 H24 F N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6209 |
| logD: | 1.6208 |
| logSw: | -2.591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.191 |
| InChI Key: | XJOMSIGMOASGQQ-UHFFFAOYSA-N |