(E)-2-(1H-benzimidazol-2-yl)-3-(2-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one
Formula:C20H18N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(2-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one |
| MolecularFormula | C20H18N3O2Br |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1Br)N1CCOCC1 |
| InChI | InChI=1S/C20H18BrN3O2/c21-16-6-2-1-5-14(16)13-15(20(25)24-9-11-26-12-10-24)19-22-17-7-3-4-8-18(17)23-19/h1-8,13H,9-12H2,(H,22,23) |
| InChIK | MQKGZKSCFKTWSS-UHFFFAOYSA-N |
| TotalMolweight | 412.286 |
| Molweight | 412.286 |
| MonoisotopicMass | 411.058238 |
| CLogP | 3.2142 |
| CLogS | -2.982 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.88 |
| Relative PSA | 0.18485 |
| PolarSurfaceArea | 58.22 |
| Druglikeness | 2.3722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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