1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
Compound characteristics
Compound ID: | F514-0099 |
Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one |
Molecular Weight: | 486.57 |
Molecular Formula: | C23 H27 F N6 O3 S |
Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCC(N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0437 |
logD: | 2.0437 |
logSw: | -2.6669 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 77.373 |
InChI Key: | WHFYRGVASOQZES-UHFFFAOYSA-N |