(5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H22N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C27H22N4O3S2
Smiles	OC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc3ccccc3)=O)\SC1=S)C2=O)c1ccccc1
InChI	InChI=1S/C27H22N4O3S2/c32-21(19-11-5-2-6-12-19)16-28-24-20(25(33)30-14-8-7-13-23(30)29-24)15-22-26(34)31(27(35)36-22)17-18-9-3-1-4-10-18/h1-15,21,28,32H,16-17H2/t21-/m0/s1
InChIK	XMUKLDIDKBMNQT-NRFANRHFSA-N
TotalMolweight	514.629
Molweight	514.629
MonoisotopicMass	514.113331
CLogP	1.461
CLogS	-5.662
H Acceptors	7
H Donors	2
TotalSurfaceArea	380.25
Relative PSA	0.30175
PolarSurfaceArea	142.63
Druglikeness	6.7546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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