2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Formula:C21H18NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is a drug-like molecule.

MolName	2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
MolecularFormula	C21H18NO4Br
Smiles	OCCN(C(C(C(/C=C/c1ccccc1)=O)=C1O)c(cc2)ccc2Br)C1=O
InChI	InChI=1S/C21H18BrNO4/c22-16-9-7-15(8-10-16)19-18(20(26)21(27)23(19)12-13-24)17(25)11-6-14-4-2-1-3-5-14/h1-11,19,24,26H,12-13H2/t19-/m1/s1
InChIK	JXBRATFBLNSNCV-LJQANCHMSA-N
TotalMolweight	428.281
Molweight	428.281
MonoisotopicMass	427.04192
CLogP	2.6496
CLogS	-3.485
H Acceptors	5
H Donors	2
TotalSurfaceArea	286.09
Relative PSA	0.19515
PolarSurfaceArea	77.84
Druglikeness	2.8851
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - 2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one | 2 - 2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Request More Details | 2-(4-bromophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments