N-[(Z)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide

Formula:C32H25N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.

MolName	N-[(Z)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C32H25N4O2Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C32H25BrN4O2/c33-27-18-16-25(17-19-27)31(38)35-29(32(39)34-21-23-10-4-1-5-11-23)20-26-22-37(28-14-8-3-9-15-28)36-30(26)24-12-6-2-7-13-24/h1-20,22H,21H2,(H,34,39)(H,35,38)
InChIK	RYFLEROPONPKHU-UHFFFAOYSA-N
TotalMolweight	577.481
Molweight	577.481
MonoisotopicMass	576.116087
CLogP	5.7774
CLogS	-7.036
H Acceptors	6
H Donors	2
TotalSurfaceArea	415.78
Relative PSA	0.16076
PolarSurfaceArea	76.02
Druglikeness	3.87
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	2
StereoCon

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