5-bromo-N-[(Z)-[1-(morpholine-4-carbonyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C23H19N4O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[1-(morpholine-4-carbonyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[1-(morpholine-4-carbonyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C23H19N4O4Br |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c1cn(C(N2CCOCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C23H19BrN4O4/c24-17-5-6-20-15(11-17)12-21(32-20)22(29)26-25-13-16-14-28(19-4-2-1-3-18(16)19)23(30)27-7-9-31-10-8-27/h1-6,11-14H,7-10H2,(H,26,29) |
| InChIK | GHVPDPFXGMAUAQ-UHFFFAOYSA-N |
| TotalMolweight | 495.332 |
| Molweight | 495.332 |
| MonoisotopicMass | 494.058967 |
| CLogP | 4.6808 |
| CLogS | -6.266 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 333.3 |
| Relative PSA | 0.25077 |
| PolarSurfaceArea | 89.07 |
| Druglikeness | 4.4529 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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