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

Formula:C32H26N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(1,3-diphenylpyrazol-4-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C32H26N4O2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1
InChI	InChI=1S/C32H26N4O2/c37-31(26-17-9-3-10-18-26)34-29(32(38)33-22-24-13-5-1-6-14-24)21-27-23-36(28-19-11-4-12-20-28)35-30(27)25-15-7-2-8-16-25/h1-21,23H,22H2,(H,33,38)(H,34,37)
InChIK	UKQJUIIBKUHRHZ-UHFFFAOYSA-N
TotalMolweight	498.584
Molweight	498.584
MonoisotopicMass	498.205576
CLogP	5.0522
CLogS	-6.202
H Acceptors	6
H Donors	2
TotalSurfaceArea	397.15
Relative PSA	0.1683
PolarSurfaceArea	76.02
Druglikeness	5.66
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42105
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
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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