4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Molecular Formula : C22H21N2O3Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.
MolName : 4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
MolecularFormula : C22H21N2O3Br |
Smiles : O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\C=C/c1ccccc1)N1CCOCC1 |
InChI : InChI=1S/C22H21BrN2O3/c23-19-11-9-18(10-12-19)21(26)24-20(22(27)25-13-15-28-16-14-25)8-4-7-17-5-2-1-3-6-17/h1-12H,13-16H2,(H,24,26) |
InChIK : DLUJQPACKBLSCO-UHFFFAOYSA-N |
TotalMolweight : 441.324 |
Molweight : 441.324 |
MonoisotopicMass : 440.073554 |
CLogP : 4.3324 |
CLogS : -4.217 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 311.66 |
Relative PSA : 0.16393 |
PolarSurfaceArea : 58.64 |
Druglikeness : 3.1971 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.53571 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |