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

Formula:C18H13N4O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-7-[(4-chlorophenyl)methylidene]-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-[(4-chlorophenyl)methylidene]-3-(4-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
MolecularFormula	C18H13N4O3ClS
Smiles	[O-][N+](c(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C\c(cc1)ccc1Cl)=O
InChI	InChI=1S/C18H13ClN4O3S/c19-13-3-1-12(2-4-13)9-16-17(24)22-11-21(10-20-18(22)27-16)14-5-7-15(8-6-14)23(25)26/h1-9H,10-11H2
InChIK	AIMXRNLNHPTUKS-UHFFFAOYSA-N
TotalMolweight	400.845
Molweight	400.845
MonoisotopicMass	400.039688
CLogP	3.1392
CLogS	-6.511
H Acceptors	7
TotalSurfaceArea	276.15
Relative PSA	0.2881
PolarSurfaceArea	107.03
Druglikeness	-1.2803
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
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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1 - (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one | 2 - (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

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