2-(4-fluoroanilino)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
Formula:C23H20N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluoroanilino)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide is a drug-like molecule.
| MolName | 2-(4-fluoroanilino)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide |
| MolecularFormula | C23H20N3O2F |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C23H20FN3O2/c24-17-10-12-18(13-11-17)25-15-23(28)27-26-20-14-22(16-6-2-1-3-7-16)29-21-9-5-4-8-19(20)21/h1-13,22,25H,14-15H2,(H,27,28)/t22-/m1/s1 |
| InChIK | GWGDSETVVLSIMS-JOCHJYFZSA-N |
| TotalMolweight | 389.429 |
| Molweight | 389.429 |
| MonoisotopicMass | 389.153955 |
| CLogP | 4.1942 |
| CLogS | -5.445 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.29 |
| Relative PSA | 0.19202 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 2.8826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(4-fluoroanilino)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide | 2 - 2-(4-fluoroanilino)-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
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