(5E)-5-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H28N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H28N4O3S2
Smiles	CCCCCCCN(C(/C(/S1)=C\C2=C(NCc3ccco3)N=C(C(C)=CC=C3)N3C2=O)=O)C1=S
InChI	InChI=1S/C25H28N4O3S2/c1-3-4-5-6-7-12-29-24(31)20(34-25(29)33)15-19-21(26-16-18-11-9-14-32-18)27-22-17(2)10-8-13-28(22)23(19)30/h8-11,13-15,26H,3-7,12,16H2,1-2H3
InChIK	XGQWBIZUEUGWQR-UHFFFAOYSA-N
TotalMolweight	496.654
Molweight	496.654
MonoisotopicMass	496.160281
CLogP	2.9901
CLogS	-6.231
H Acceptors	7
H Donors	1
TotalSurfaceArea	382.86
Relative PSA	0.30233
PolarSurfaceArea	135.54
Druglikeness	-9.2456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	11
Amides	2
BasicNitrogens	1
StereoCon

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1 - (5E)-5-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one

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