[4-bromo-2-[(Z)-[[(1S)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C30H23N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[(1S)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[(1S)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C30H23N2O4Br |
| Smiles | O=C([C@@H](C1)C1(c1ccccc1)c1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C30H23BrN2O4/c31-24-13-15-27(37-28(34)16-14-25-12-7-17-36-25)21(18-24)20-32-33-29(35)26-19-30(26,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-18,20,26H,19H2,(H,33,35)/t26-/m1/s1 |
| InChIK | JUYLFDUFVYXNQM-AREMUKBSSA-N |
| TotalMolweight | 555.427 |
| Molweight | 555.427 |
| MonoisotopicMass | 554.084119 |
| CLogP | 6.4814 |
| CLogS | -7.058 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 392.25 |
| Relative PSA | 0.18651 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 1.3148 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[(1S)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-bromo-2-[(Z)-[[(1S)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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