(2Z)-2-benzylidene-9-(1,3-dithian-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

Formula:C27H24N2OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-benzylidene-9-(1,3-dithian-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.

MolName	(2Z)-2-benzylidene-9-(1,3-dithian-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormula	C27H24N2OS3
Smiles	O=C(/C(/S1)=C/c2ccccc2)N2C1=NC(C(CCC1)=C3SCCCS3)=C1C2c1ccccc1
InChI	InChI=1S/C27H24N2OS3/c30-25-22(17-18-9-3-1-4-10-18)33-27-28-23-20(24(29(25)27)19-11-5-2-6-12-19)13-7-14-21(23)26-31-15-8-16-32-26/h1-6,9-12,17,24H,7-8,13-16H2/t24-/m0/s1
InChIK	ZUDBGXCKISLEKU-DEOSSOPVSA-N
TotalMolweight	488.699
Molweight	488.699
MonoisotopicMass	488.105073
CLogP	6.7248
CLogS	-6.914
H Acceptors	3
TotalSurfaceArea	348.12
Relative PSA	0.23144
PolarSurfaceArea	108.57
Druglikeness	1.1008
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	1
StereoCon	racemate

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1 - (2Z)-2-benzylidene-9-(1,3-dithian-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (2Z)-2-benzylidene-9-(1,3-dithian-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

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