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C23H22N3O5Br | Cheminformatics
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(5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione

Molecular Formula : C23H22N3O5Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.

MolName : (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione

MolecularFormula : C23H22N3O5Br

Smiles : O=C(COc(ccc(/C=C(/C(N1Cc2ccccc2)=O)\NC1=O)c1)c1Br)N1CCOCC1

InChI : InChI=1S/C23H22BrN3O5/c24-18-12-17(6-7-20(18)32-15-21(28)26-8-10-31-11-9-26)13-19-22(29)27(23(30)25-19)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,25,30)

InChIK : NEOCCPVQVWEUCS-UHFFFAOYSA-N

TotalMolweight : 500.348

Molweight : 500.348

MonoisotopicMass : 499.074283

CLogP : 2.5137

CLogS : -4.021

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 337.23

Relative PSA : 0.23035

PolarSurfaceArea : 88.18

Druglikeness : 3.0078

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! 5-methylene-imidazolidine-2,4-dione

Shape Index : 0.625

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 3

StereoCon :

Click to Load Molecule:
1 - (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione
2 - (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione
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