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

Formula:C20H16N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-3-(4-bromophenyl)-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-bromophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
MolecularFormula	C20H16N3OBrS
Smiles	O=C(/C(/S1)=C/C=C/c2ccccc2)N(C2)C1=NCN2c(cc1)ccc1Br
InChI	InChI=1S/C20H16BrN3OS/c21-16-9-11-17(12-10-16)23-13-22-20-24(14-23)19(25)18(26-20)8-4-7-15-5-2-1-3-6-15/h1-12H,13-14H2
InChIK	VEDQCRDNPKMPHF-UHFFFAOYSA-N
TotalMolweight	426.337
Molweight	426.337
MonoisotopicMass	425.019743
CLogP	4.8366
CLogS	-6.461
H Acceptors	4
TotalSurfaceArea	282.19
Relative PSA	0.17414
PolarSurfaceArea	61.21
Druglikeness	2.1215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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1 - (7Z)-3-(4-bromophenyl)-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-bromophenyl)-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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