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C24H21N2O4Br | Cheminformatics
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N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

Molecular Formula : C24H21N2O4Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName : N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

MolecularFormula : C24H21N2O4Br

Smiles : O=C(/C(/NC(c1ccccc1)=O)=C/c1ccc(-c(cc2)ccc2Br)o1)N1CCOCC1

InChI : InChI=1S/C24H21BrN2O4/c25-19-8-6-17(7-9-19)22-11-10-20(31-22)16-21(24(29)27-12-14-30-15-13-27)26-23(28)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,26,28)

InChIK : MOSHGNDZWMFIQR-UHFFFAOYSA-N

TotalMolweight : 481.345

Molweight : 481.345

MonoisotopicMass : 480.068469

CLogP : 4.6147

CLogS : -5.365

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 334.61

Relative PSA : 0.19485

PolarSurfaceArea : 71.78

Druglikeness : 3.8354

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.51613

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Symmetricatoms : 6

Amides : 2

StereoCon :

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2 - N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
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