2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
Formula:C19H19N4O3BrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N4O3BrClFS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C19H19BrClFN4O3S/c20-14-4-6-15(7-5-14)30(28,29)26-10-8-25(9-11-26)13-19(27)24-23-12-16-17(21)2-1-3-18(16)22/h1-7,12H,8-11,13H2,(H,24,27) |
| InChIK | NXUZOQWVGBFAKE-UHFFFAOYSA-N |
| TotalMolweight | 517.806 |
| Molweight | 517.806 |
| MonoisotopicMass | 516.003377 |
| CLogP | 3.4307 |
| CLogS | -4.075 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 331.87 |
| Relative PSA | 0.21602 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 5.5533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
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