2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C26H27N4O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H27N4O4BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H27BrN4O4S/c27-23-9-11-25(12-10-23)36(33,34)31-15-13-30(14-16-31)19-26(32)29-28-18-22-7-4-8-24(17-22)35-20-21-5-2-1-3-6-21/h1-12,17-18H,13-16,19-20H2,(H,29,32) |
| InChIK | WREMGHRCDLCUQF-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 | 1.3252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 7 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off