N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
Formula:C19H19N4O3Br2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide |
| MolecularFormula | C19H19N4O3Br2FS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C19H19Br2FN4O3S/c20-15-1-4-17(5-2-15)30(28,29)26-9-7-25(8-10-26)13-19(27)24-23-12-14-11-16(21)3-6-18(14)22/h1-6,11-12H,7-10,13H2,(H,24,27) |
| InChIK | VNSXCMRDGDIZLR-UHFFFAOYSA-N |
| TotalMolweight | 562.257 |
| Molweight | 562.257 |
| MonoisotopicMass | 559.952861 |
| CLogP | 3.5499 |
| CLogS | -4.173 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.08 |
| Relative PSA | 0.21395 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 4.0929 |
| 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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