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

Formula:C26H24N6O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C26H24N6O2S2
Smiles	O=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S
InChI	InChI=1S/C26H24N6O2S2/c33-24-20(17-21-25(34)32(26(35)36-21)15-10-19-7-2-1-3-8-19)23(29-22-9-4-5-14-31(22)24)28-11-6-13-30-16-12-27-18-30/h1-5,7-9,12,14,16-18,28H,6,10-11,13,15H2
InChIK	PBXBAMFHKARIIT-UHFFFAOYSA-N
TotalMolweight	516.649
Molweight	516.649
MonoisotopicMass	516.140214
CLogP	1.2051
CLogS	-4.572
H Acceptors	8
H Donors	1
TotalSurfaceArea	390.64
Relative PSA	0.30586
PolarSurfaceArea	140.22
Druglikeness	6.9723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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

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