N-[(4-fluorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[(4-fluorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
Compound ID: | F514-0094 |
Compound Name: | N-[(4-fluorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
Molecular Weight: | 431.49 |
Molecular Formula: | C20 H22 F N5 O3 S |
Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCC(NCc1ccc(cc1)F)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8408 |
logD: | 1.8408 |
logSw: | -2.5869 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.191 |
InChI Key: | LXYOQSXPMMQAJZ-UHFFFAOYSA-N |