N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C26H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C26H20N4O3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cc(cccc3)c3o2)=O)c1)Nc1ccccc1 |
| InChI | InChI=1S/C26H20N4O3/c31-25(28-20-9-2-1-3-10-20)17-30-16-19(21-11-5-6-12-22(21)30)15-27-29-26(32)24-14-18-8-4-7-13-23(18)33-24/h1-16H,17H2,(H,28,31)(H,29,32) |
| InChIK | UGHAJCHLIOJIKY-UHFFFAOYSA-N |
| TotalMolweight | 436.47 |
| Molweight | 436.47 |
| MonoisotopicMass | 436.153541 |
| CLogP | 4.5215 |
| CLogS | -6.071 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 337.81 |
| Relative PSA | 0.24123 |
| PolarSurfaceArea | 88.63 |
| Druglikeness | 6.9209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide | 2 - N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
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