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

Formula:C23H22N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-benzyl-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H22N4O4S2
Smiles	OCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc3ccccc3)=O)\SC1=S)C2=O
InChI	InChI=1S/C23H22N4O4S2/c28-11-13-31-12-9-24-20-17(21(29)26-10-5-4-8-19(26)25-20)14-18-22(30)27(23(32)33-18)15-16-6-2-1-3-7-16/h1-8,10,14,24,28H,9,11-13,15H2
InChIK	RJJWTGHOIQUPTF-UHFFFAOYSA-N
TotalMolweight	482.584
Molweight	482.584
MonoisotopicMass	482.108246
CLogP	0.07
CLogS	-4.489
H Acceptors	8
H Donors	2
TotalSurfaceArea	359.27
Relative PSA	0.3472
PolarSurfaceArea	151.86
Druglikeness	2.5532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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

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