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

Formula:C31H27N5O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-benzylpiperazin-1-yl)-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-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC31H27N5O4S2
SmilesO=C(/C(/S1)=C/C2=C(N3CCN(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)cc3c2OCO3)C1=S
InChIInChI=1S/C31H27N5O4S2/c37-29-23(17-26-30(38)36(31(41)42-26)19-22-9-10-24-25(16-22)40-20-39-24)28(32-27-8-4-5-11-35(27)29)34-14-12-33(13-15-34)18-21-6-2-1-3-7-21/h1-11,16-17H,12-15,18-20H2
InChIKGEOKHSCHUUMNRL-UHFFFAOYSA-N
TotalMolweight597.718
Molweight597.718
MonoisotopicMass597.150445
CLogP2.5573
CLogS-6.016
H Acceptors9
TotalSurfaceArea432.34
Relative PSA0.27127
PolarSurfaceArea135.31
Druglikeness8.0418
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms42
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms4
Amides2
Amines1
AlkylAmines1
BasicNitrogens2
StereoCon

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