N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-bromobenzamide
Formula:C24H24N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-bromobenzamide |
| MolecularFormula | C24H24N3O2Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C24H24BrN3O2/c25-22-10-8-19(9-11-22)24(29)27-26-17-21-7-6-20(16-18-4-2-1-3-5-18)23(21)28-12-14-30-15-13-28/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,29) |
| InChIK | KOSDTXCXBFVERW-UHFFFAOYSA-N |
| TotalMolweight | 466.378 |
| Molweight | 466.378 |
| MonoisotopicMass | 465.105188 |
| CLogP | 4.5063 |
| CLogS | -5.121 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.11 |
| Relative PSA | 0.15059 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 2.8744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-bromobenzamide | 2 - N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-bromobenzamide
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