(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
Formula:C21H19N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one |
| MolecularFormula | C21H19N3O3F2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1OC(F)F)N1CCOCC1 |
| InChI | InChI=1S/C21H19F2N3O3/c22-21(23)29-18-8-4-1-5-14(18)13-15(20(27)26-9-11-28-12-10-26)19-24-16-6-2-3-7-17(16)25-19/h1-8,13,21H,9-12H2,(H,24,25) |
| InChIK | CNAXXFSEUBASPI-UHFFFAOYSA-N |
| TotalMolweight | 399.396 |
| Molweight | 399.396 |
| MonoisotopicMass | 399.139448 |
| CLogP | 2.6584 |
| CLogS | -2.77 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.45 |
| Relative PSA | 0.20833 |
| PolarSurfaceArea | 67.45 |
| Druglikeness | 1.3447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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