4-bromo-N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C24H21N2O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-bromo-N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C24H21N2O2Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccccc1)NCCc1ccccc1
InChI	InChI=1S/C24H21BrN2O2/c25-21-13-11-20(12-14-21)23(28)27-22(17-19-9-5-2-6-10-19)24(29)26-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,26,29)(H,27,28)
InChIK	DGAJTVUTYSXZNF-UHFFFAOYSA-N
TotalMolweight	449.347
Molweight	449.347
MonoisotopicMass	448.078639
CLogP	5.2885
CLogS	-5.635
H Acceptors	4
H Donors	2
TotalSurfaceArea	322.06
Relative PSA	0.15215
PolarSurfaceArea	58.2
Druglikeness	1.7094
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	2
StereoCon

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