(E)-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-phenylprop-2-enamide

Formula:C31H26N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-phenylprop-2-enamide
MolecularFormula	C31H26N3O2Cl
Smiles	O=C(CN(C1CC1)C(/C=C/c1ccccc1)=O)N(C1c(cc2)ccc2Cl)c(cccc2)c2-n2c1ccc2
InChI	InChI=1S/C31H26ClN3O2/c32-24-15-13-23(14-16-24)31-28-11-6-20-33(28)26-9-4-5-10-27(26)35(31)30(37)21-34(25-17-18-25)29(36)19-12-22-7-2-1-3-8-22/h1-16,19-20,25,31H,17-18,21H2/t31-/m1/s1
InChIK	HDQBHVJFOXNEHX-WJOKGBTCSA-N
TotalMolweight	508.019
Molweight	508.019
MonoisotopicMass	507.171354
CLogP	5.6506
CLogS	-8.213
H Acceptors	5
TotalSurfaceArea	379.04
Relative PSA	0.10566
PolarSurfaceArea	45.55
Druglikeness	2.8895
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon	racemate

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1 - (E)-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-phenylprop-2-enamide | 2 - (E)-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-phenylprop-2-enamide

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