N-[4-benzamido-6-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide

Formula:C33H24N8O3 Mutagenic:high Tumorigenic:low Reproductive Effective:high N-[4-benzamido-6-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide is not a drug-like molecule.

MolName	N-[4-benzamido-6-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide
MolecularFormula	C33H24N8O3
Smiles	O=C(c1ccccc1)Nc1nc(NN(C2=O)C(c3ccccc3)=N/C2=C/c2ccccc2)nc(NC(c2ccccc2)=O)n1
InChI	InChI=1S/C33H24N8O3/c42-28(24-17-9-3-10-18-24)35-31-37-32(36-29(43)25-19-11-4-12-20-25)39-33(38-31)40-41-27(23-15-7-2-8-16-23)34-26(30(41)44)21-22-13-5-1-6-14-22/h1-21H,(H3,35,36,37,38,39,40,42,43)
InChIK	NGWNQEIQWBVDJF-UHFFFAOYSA-N
TotalMolweight	580.607
Molweight	580.607
MonoisotopicMass	580.197137
CLogP	6.1312
CLogS	-7.605
H Acceptors	11
H Donors	3
TotalSurfaceArea	440.69
Relative PSA	0.27564
PolarSurfaceArea	141.57
Druglikeness	4.0756
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.40909
Fragments	1
Non HAtoms	44
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	17
Amides	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - N-[4-benzamido-6-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide | 2 - N-[4-benzamido-6-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide

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