4-bromo-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Formula:C24H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C24H17N4OBr |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(c(cc3)ccc3Br)=O)c2)cccc1 |
| InChI | InChI=1S/C24H17BrN4O/c25-21-11-9-17(10-12-21)24(30)28-27-14-20-16-29(23-8-4-3-7-22(20)23)15-19-6-2-1-5-18(19)13-26/h1-12,14,16H,15H2,(H,28,30) |
| InChIK | NFIJCIVMDTYFPO-UHFFFAOYSA-N |
| TotalMolweight | 457.33 |
| Molweight | 457.33 |
| MonoisotopicMass | 456.058572 |
| CLogP | 5.2921 |
| CLogS | -6.306 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.65 |
| Relative PSA | 0.17385 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 0.081659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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