(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C33H21N3O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C33H21N3O3BrF
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1c(C(c(cc2)ccc2Br)=O)oc2c1cccc2
InChI	InChI=1S/C33H21BrFN3O3/c34-24-15-10-22(11-16-24)32(40)33-31(27-8-4-5-9-28(27)41-33)36-29(39)19-14-23-20-38(26-6-2-1-3-7-26)37-30(23)21-12-17-25(35)18-13-21/h1-20H,(H,36,39)
InChIK	GNOPJDWKJZMXPK-UHFFFAOYSA-N
TotalMolweight	606.45
Molweight	606.45
MonoisotopicMass	605.075031
CLogP	6.5169
CLogS	-9.442
H Acceptors	6
H Donors	1
TotalSurfaceArea	422.99
Relative PSA	0.16428
PolarSurfaceArea	77.13
Druglikeness	0.15243
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
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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1 - (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide | 2 - (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

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