N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-5-bromofuran-2-carboxamide

Formula:C21H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-5-bromofuran-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-5-bromofuran-2-carboxamide
MolecularFormula	C21H17N2O3Br
Smiles	O=C(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C21H17BrN2O3/c22-19-12-11-18(27-19)21(26)24-17(13-15-7-3-1-4-8-15)20(25)23-14-16-9-5-2-6-10-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIK	CUHVYDRRQRHGPA-UHFFFAOYSA-N
TotalMolweight	425.281
Molweight	425.281
MonoisotopicMass	424.042254
CLogP	4.1445
CLogS	-4.968
H Acceptors	5
H Donors	2
TotalSurfaceArea	297.99
Relative PSA	0.21179
PolarSurfaceArea	71.34
Druglikeness	1.155
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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