(E)-2-(1H-benzimidazol-2-yl)-3-(2-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one
Molecular 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 : |