N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C22H20N3O4FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C22H20N3O4FS |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C22H20FN3O4S/c23-18-8-6-16(7-9-18)21-11-10-19(30-21)15-24-25-22(27)17-4-3-5-20(14-17)31(28,29)26-12-1-2-13-26/h3-11,14-15H,1-2,12-13H2,(H,25,27) |
| InChIK | SSLJLVHBXCFGEN-UHFFFAOYSA-N |
| TotalMolweight | 441.482 |
| Molweight | 441.482 |
| MonoisotopicMass | 441.115855 |
| CLogP | 4.1061 |
| CLogS | -5.32 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.21 |
| Relative PSA | 0.25448 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 1.9231 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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