[4-bromo-2-[(Z)-[(3,3-diphenylcyclobutanecarbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C31H25N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(3,3-diphenylcyclobutanecarbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(3,3-diphenylcyclobutanecarbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C31H25N2O4Br |
| Smiles | O=C(C(C1)CC1(c1ccccc1)c1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C31H25BrN2O4/c32-26-13-15-28(38-29(35)16-14-27-12-7-17-37-27)22(18-26)21-33-34-30(36)23-19-31(20-23,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-18,21,23H,19-20H2,(H,34,36) |
| InChIK | BTDVKBUZYXCLSM-UHFFFAOYSA-N |
| TotalMolweight | 569.454 |
| Molweight | 569.454 |
| MonoisotopicMass | 568.099769 |
| CLogP | 6.8234 |
| CLogS | -7.328 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 406.01 |
| Relative PSA | 0.18019 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -0.35295 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(3,3-diphenylcyclobutanecarbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-bromo-2-[(Z)-[(3,3-diphenylcyclobutanecarbonyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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