(E)-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide

Formula:C33H22N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]prop-2-enamide
MolecularFormula	C33H22N3O3F
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1c(C(c(cc2)ccc2F)=O)oc2c1cccc2
InChI	InChI=1S/C33H22FN3O3/c34-25-18-15-23(16-19-25)32(39)33-31(27-13-7-8-14-28(27)40-33)35-29(38)20-17-24-21-37(26-11-5-2-6-12-26)36-30(24)22-9-3-1-4-10-22/h1-21H,(H,35,38)
InChIK	XVMIBMNJUMRPHF-UHFFFAOYSA-N
TotalMolweight	527.554
Molweight	527.554
MonoisotopicMass	527.16452
CLogP	5.7917
CLogS	-8.608
H Acceptors	6
H Donors	1
TotalSurfaceArea	404.36
Relative PSA	0.17185
PolarSurfaceArea	77.13
Druglikeness	1.9424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.475
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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