(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H18N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(furan-2-ylmethylamino)-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-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H18N4O5S2
Smiles	O=C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)cc3c2OCO3)C1=S
InChI	InChI=1S/C25H18N4O5S2/c30-23-17(22(26-12-16-4-3-9-32-16)27-21-5-1-2-8-28(21)23)11-20-24(31)29(25(35)36-20)13-15-6-7-18-19(10-15)34-14-33-18/h1-11,26H,12-14H2
InChIK	WYGFMKQDKZKAAH-UHFFFAOYSA-N
TotalMolweight	518.573
Molweight	518.573
MonoisotopicMass	518.071861
CLogP	1.4011
CLogS	-6.491
H Acceptors	9
H Donors	1
TotalSurfaceArea	371.35
Relative PSA	0.36556
PolarSurfaceArea	154
Druglikeness	5.3263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
BasicNitrogens	1
StereoCon

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1 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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