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

Formula:C24H26N6O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-cyclohexyl-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C24H26N6O2S2
Smiles	O=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S
InChI	InChI=1S/C24H26N6O2S2/c31-22-18(15-19-23(32)30(24(33)34-19)17-7-2-1-3-8-17)21(27-20-9-4-5-13-29(20)22)26-10-6-12-28-14-11-25-16-28/h4-5,9,11,13-17,26H,1-3,6-8,10,12H2
InChIK	KFJFVUTZRSXENX-UHFFFAOYSA-N
TotalMolweight	494.642
Molweight	494.642
MonoisotopicMass	494.155864
CLogP	0.9126
CLogS	-4.711
H Acceptors	8
H Donors	1
TotalSurfaceArea	371.16
Relative PSA	0.32191
PolarSurfaceArea	140.22
Druglikeness	1.7278
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	11
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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1 - (5Z)-3-cyclohexyl-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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