N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-bromophenyl)pentanediamide
Formula:C26H22N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-bromophenyl)pentanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-bromophenyl)pentanediamide |
| MolecularFormula | C26H22N3O2Br |
| Smiles | O=C(CCCC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C26H22BrN3O2/c27-20-12-14-21(15-13-20)29-25(31)10-5-11-26(32)30-28-17-24-22-8-3-1-6-18(22)16-19-7-2-4-9-23(19)24/h1-4,6-9,12-17H,5,10-11H2,(H,29,31)(H,30,32) |
| InChIK | OCIRIMJWKFJKDF-UHFFFAOYSA-N |
| TotalMolweight | 488.384 |
| Molweight | 488.384 |
| MonoisotopicMass | 487.089538 |
| CLogP | 6.6211 |
| CLogS | -8.381 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 345.31 |
| Relative PSA | 0.17523 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -2.4883 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-bromophenyl)pentanediamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-bromophenyl)pentanediamide
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