(4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C22H20N3O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C22H20N3O5Br
Smiles	O=C(COc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1Br)N1CCOCC1
InChI	InChI=1S/C22H20BrN3O5/c23-16-6-7-19(31-14-20(27)25-8-10-30-11-9-25)15(12-16)13-18-21(28)24-26(22(18)29)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,24,28)
InChIK	DDLYOTAJVTZTOE-UHFFFAOYSA-N
TotalMolweight	486.321
Molweight	486.321
MonoisotopicMass	485.058633
CLogP	1.318
CLogS	-3.214
H Acceptors	8
H Donors	1
TotalSurfaceArea	323.47
Relative PSA	0.24015
PolarSurfaceArea	88.18
Druglikeness	3.6883
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Request More Details | (4Z)-4-[[5-bromo-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments