N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
Formula:C27H25N4O3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide |
| MolecularFormula | C27H25N4O3BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C27H25BrN4O3S/c28-22-9-11-23(12-10-22)36(34,35)32-15-13-31(14-16-32)19-27(33)30-29-18-26-24-7-3-1-5-20(24)17-21-6-2-4-8-25(21)26/h1-12,17-18H,13-16,19H2,(H,30,33) |
| InChIK | WDBWBPNZPANVGF-UHFFFAOYSA-N |
| TotalMolweight | 565.491 |
| Molweight | 565.491 |
| MonoisotopicMass | 564.083072 |
| CLogP | 5.1127 |
| CLogS | -6.237 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 379.3 |
| Relative PSA | 0.18901 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 4.7939 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 11 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off