N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide
Formula:C27H20N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide |
| MolecularFormula | C27H20N3O2Br |
| Smiles | O=C(c1ccc(-c(cc2)ccc2Br)o1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C27H20BrN3O2/c28-22-12-10-20(11-13-22)25-14-15-26(33-25)27(32)30-29-16-21-18-31(17-19-6-2-1-3-7-19)24-9-5-4-8-23(21)24/h1-16,18H,17H2,(H,30,32) |
| InChIK | TWYVOYDAOKRDRG-UHFFFAOYSA-N |
| TotalMolweight | 498.379 |
| Molweight | 498.379 |
| MonoisotopicMass | 497.073888 |
| CLogP | 6.3954 |
| CLogS | -6.993 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 352.39 |
| Relative PSA | 0.16172 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 5.2831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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