2-bromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
Formula:C24H18N4O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C24H18N4O2BrF |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c(cccc2)c2Br)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C24H18BrFN4O2/c25-21-7-3-1-6-20(21)24(32)29-27-13-16-14-30(22-8-4-2-5-19(16)22)15-23(31)28-18-11-9-17(26)10-12-18/h1-14H,15H2,(H,28,31)(H,29,32) |
| InChIK | IDHQIMWZNVIKKA-UHFFFAOYSA-N |
| TotalMolweight | 493.335 |
| Molweight | 493.335 |
| MonoisotopicMass | 492.059715 |
| CLogP | 4.8419 |
| CLogS | -6.036 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 338.5 |
| Relative PSA | 0.19905 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 3.6298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off