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

Formula:C18H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-7-benzylidene-3-(4-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is a drug-like molecule.

MolName	(7Z)-7-benzylidene-3-(4-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
MolecularFormula	C18H14N4O3S
Smiles	[O-][N+](c(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C\c1ccccc1)=O
InChI	InChI=1S/C18H14N4O3S/c23-17-16(10-13-4-2-1-3-5-13)26-18-19-11-20(12-21(17)18)14-6-8-15(9-7-14)22(24)25/h1-10H,11-12H2
InChIK	SVHLWVBVECTXQC-UHFFFAOYSA-N
TotalMolweight	366.4
Molweight	366.4
MonoisotopicMass	366.078661
CLogP	2.5332
CLogS	-5.775
H Acceptors	7
TotalSurfaceArea	260.73
Relative PSA	0.30514
PolarSurfaceArea	107.03
Druglikeness	-1.3353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
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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