3-bromo-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
Molecular Formula : C18H17N2O4Br | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |3-bromo-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
MolName : 3-bromo-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C18H17N2O4Br |
Smiles : O=C(/C(/NC(c1cccc(Br)c1)=O)=C/c1ccco1)N1CCOCC1 |
InChI : InChI=1S/C18H17BrN2O4/c19-14-4-1-3-13(11-14)17(22)20-16(12-15-5-2-8-25-15)18(23)21-6-9-24-10-7-21/h1-5,8,11-12H,6-7,9-10H2,(H,20,22) |
InChIK : YFYAMWVXLARDKX-UHFFFAOYSA-N |
TotalMolweight : 405.247 |
Molweight : 405.247 |
MonoisotopicMass : 404.037169 |
CLogP : 2.8645 |
CLogS : -3.587 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 274.85 |
Relative PSA : 0.23722 |
PolarSurfaceArea : 71.78 |
Druglikeness : 2.8097 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.48 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |