N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C24H17N2O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C24H17N2O4Br |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C\c1ccc(-c2cccc(Br)c2)o1 |
| InChI | InChI=1S/C24H17BrN2O4/c25-18-7-3-6-17(10-18)20-9-8-19(30-20)13-26-27-24(28)23-14-29-21-11-15-4-1-2-5-16(15)12-22(21)31-23/h1-13,23H,14H2,(H,27,28)/t23-/m0/s1 |
| InChIK | KNNXITWNKWMMNZ-QHCPKHFHSA-N |
| TotalMolweight | 477.313 |
| Molweight | 477.313 |
| MonoisotopicMass | 476.037169 |
| CLogP | 5.6022 |
| CLogS | -7.643 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.43 |
| Relative PSA | 0.21747 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 5.1988 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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