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

Formula:C26H26N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-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-cyclohexyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C26H26N4O3S2
Smiles	OC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCCC3)=O)\SC1=S)C2=O)c1ccccc1
InChI	InChI=1S/C26H26N4O3S2/c31-20(17-9-3-1-4-10-17)16-27-23-19(24(32)29-14-8-7-13-22(29)28-23)15-21-25(33)30(26(34)35-21)18-11-5-2-6-12-18/h1,3-4,7-10,13-15,18,20,27,31H,2,5-6,11-12,16H2/t20-/m0/s1
InChIK	JXYRERDXHLJMHX-FQEVSTJZSA-N
TotalMolweight	506.649
Molweight	506.649
MonoisotopicMass	506.144631
CLogP	1.5986
CLogS	-5.913
H Acceptors	7
H Donors	2
TotalSurfaceArea	374.53
Relative PSA	0.30636
PolarSurfaceArea	142.63
Druglikeness	0.94264
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (5Z)-3-cyclohexyl-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-cyclohexyl-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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