N,N-diethyl-1-{2-[(3-fluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-1-{2-[(3-fluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
N,N-diethyl-1-{2-[(3-fluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Compound characteristics
Compound ID: | L447-0277 |
Compound Name: | N,N-diethyl-1-{2-[(3-fluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide |
Molecular Weight: | 434.49 |
Molecular Formula: | C19 H23 F N6 O3 S |
Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)F)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.44 |
logD: | 2.44 |
logSw: | -3.033 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.478 |
InChI Key: | DOXCKRRISMCOCB-UHFFFAOYSA-N |