1-[2-(4-fluorophenyl)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-[2-(4-fluorophenyl)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
1-[2-(4-fluorophenyl)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | Y032-4266 |
Compound Name: | 1-[2-(4-fluorophenyl)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide |
Molecular Weight: | 428.44 |
Molecular Formula: | C20 H17 F N4 O4 S |
Smiles: | C(CN1CC(CC1=O)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)c1ccc(cc1)F |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9707 |
logD: | 2.9702 |
logSw: | -3.3915 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.647 |
InChI Key: | CKPKWFAWIXRTBZ-ZDUSSCGKSA-N |