(7Z)-3-(4-nitrophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

Formula:C20H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-3-(4-nitrophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is a drug-like molecule.

MolName	(7Z)-3-(4-nitrophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
MolecularFormula	C20H16N4O3S
Smiles	[O-][N+](c(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C20H16N4O3S/c25-19-18(8-4-7-15-5-2-1-3-6-15)28-20-21-13-22(14-23(19)20)16-9-11-17(12-10-16)24(26)27/h1-12H,13-14H2
InChIK	KFETZTCGEDGBHX-UHFFFAOYSA-N
TotalMolweight	392.438
Molweight	392.438
MonoisotopicMass	392.094311
CLogP	3.1898
CLogS	-6.087
H Acceptors	7
TotalSurfaceArea	287.23
Relative PSA	0.27699
PolarSurfaceArea	107.03
Druglikeness	-1.151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - (7Z)-3-(4-nitrophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one | 2 - (7Z)-3-(4-nitrophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

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