(E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
Formula:C20H17N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one |
| MolecularFormula | C20H17N3O2Cl2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc(Cl)c1Cl)N1CCOCC1 |
| InChI | InChI=1S/C20H17Cl2N3O2/c21-15-5-3-4-13(18(15)22)12-14(20(26)25-8-10-27-11-9-25)19-23-16-6-1-2-7-17(16)24-19/h1-7,12H,8-11H2,(H,23,24) |
| InChIK | ZMTVLWQABZOFDN-UHFFFAOYSA-N |
| TotalMolweight | 402.28 |
| Molweight | 402.28 |
| MonoisotopicMass | 401.069781 |
| CLogP | 3.701 |
| CLogS | -3.62 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.09 |
| Relative PSA | 0.17709 |
| PolarSurfaceArea | 58.22 |
| Druglikeness | 4.2073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
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