N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
Formula:C16H15N3O4BrClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide |
| MolecularFormula | C16H15N3O4BrClS |
| Smiles | O=C(C(CCC1)N1S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C16H15BrClN3O4S/c17-15-8-5-12(25-15)10-19-20-16(22)14-2-1-9-21(14)26(23,24)13-6-3-11(18)4-7-13/h3-8,10,14H,1-2,9H2,(H,20,22)/t14-/m0/s1 |
| InChIK | ZHNNFSLGGFBJKZ-AWEZNQCLSA-N |
| TotalMolweight | 460.735 |
| Molweight | 460.735 |
| MonoisotopicMass | 458.965515 |
| CLogP | 3.247 |
| CLogS | -4.401 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.89 |
| Relative PSA | 0.28373 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 6.5784 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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