2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C26H27N4O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H27N4O4BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C26H27BrN4O4S/c27-23-8-12-25(13-9-23)36(33,34)31-16-14-30(15-17-31)19-26(32)29-28-18-21-6-10-24(11-7-21)35-20-22-4-2-1-3-5-22/h1-13,18H,14-17,19-20H2,(H,29,32) |
| InChIK | JPODHVBTDSEWKC-UHFFFAOYSA-N |
| TotalMolweight | 571.494 |
| Molweight | 571.494 |
| MonoisotopicMass | 570.093637 |
| CLogP | 4.072 |
| CLogS | -4.366 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 393.62 |
| Relative PSA | 0.20754 |
| PolarSurfaceArea | 99.69 |
| Druglikeness | -1.8456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| 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-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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