1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea

Formula:C21H16N7O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea is a drug-like molecule.

MolName	1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea
MolecularFormula	C21H16N7O3Cl
Smiles	O=C(CC1=Nc2nnc(NC(Nc(cc3)ccc3Cl)=O)n2NC1=O)/C=C/c1ccccc1
InChI	InChI=1S/C21H16ClN7O3/c22-14-7-9-15(10-8-14)23-21(32)25-20-27-26-19-24-17(18(31)28-29(19)20)12-16(30)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,28,31)(H2,23,25,27,32)
InChIK	ZQYLIVXSAVZSMJ-UHFFFAOYSA-N
TotalMolweight	449.857
Molweight	449.857
MonoisotopicMass	449.100315
CLogP	2.6591
CLogS	-8.077
H Acceptors	10
H Donors	3
TotalSurfaceArea	332.28
Relative PSA	0.34254
PolarSurfaceArea	130.37
Druglikeness	6.3857
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon

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1 - 1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea | 2 - 1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea

Request More Details | 1-(4-chlorophenyl)-3-[6-oxo-7-[(E)-2-oxo-4-phenylbut-3-enyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]urea

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