2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C25H25N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H25N4O3BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C25H25BrN4O3S/c26-23-10-12-24(13-11-23)34(32,33)30-16-14-29(15-17-30)19-25(31)28-27-18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-13,18H,14-17,19H2,(H,28,31) |
| InChIK | VPNHHULSRMUMLT-UHFFFAOYSA-N |
| TotalMolweight | 541.469 |
| Molweight | 541.469 |
| MonoisotopicMass | 540.083072 |
| CLogP | 4.3831 |
| CLogS | -5.111 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 369.86 |
| Relative PSA | 0.19383 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 6.6689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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