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(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C26H24N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC26H24N4O3S2
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)Cc4c3cccc4)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C26H24N4O3S2/c31-24-20(14-21-25(32)30(26(34)35-21)16-19-8-5-13-33-19)23(27-22-9-3-4-11-29(22)24)28-12-10-17-6-1-2-7-18(17)15-28/h1-4,6-7,9,11,14,19H,5,8,10,12-13,15-16H2/t19-/m1/s1
InChIKCXUOWHQWWKLZGL-LJQANCHMSA-N
TotalMolweight504.634
Molweight504.634
MonoisotopicMass504.128981
CLogP1.345
CLogS-5.447
H Acceptors7
TotalSurfaceArea364.78
Relative PSA0.28436
PolarSurfaceArea122.84
Druglikeness4.4399
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.45714
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Amides2
BasicNitrogens1
StereoConracemate

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