N-[(E)-1-(4-bromophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide

Formula:C22H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-bromophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(4-bromophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C22H19N2O3Br
Smiles	O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1Br)NCCc1ccccc1
InChI	InChI=1S/C22H19BrN2O3/c23-18-10-8-17(9-11-18)15-19(25-22(27)20-7-4-14-28-20)21(26)24-13-12-16-5-2-1-3-6-16/h1-11,14-15H,12-13H2,(H,24,26)(H,25,27)
InChIK	OAXALMNLUJZAGX-UHFFFAOYSA-N
TotalMolweight	439.308
Molweight	439.308
MonoisotopicMass	438.057904
CLogP	4.4772
CLogS	-5.317
H Acceptors	5
H Donors	2
TotalSurfaceArea	311.75
Relative PSA	0.20244
PolarSurfaceArea	71.34
Druglikeness	1.6316
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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