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

Formula:C32H28N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-benzylpiperidin-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-benzylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC32H28N4O4S2
SmilesO=C(/C(/S1)=C/C2=C(N3CCC(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)cc3c2OCO3)C1=S
InChIInChI=1S/C32H28N4O4S2/c37-30-24(18-27-31(38)36(32(41)42-27)19-23-9-10-25-26(17-23)40-20-39-25)29(33-28-8-4-5-13-35(28)30)34-14-11-22(12-15-34)16-21-6-2-1-3-7-21/h1-10,13,17-18,22H,11-12,14-16,19-20H2
InChIKDMLNYHRCKWITFH-UHFFFAOYSA-N
TotalMolweight596.73
Molweight596.73
MonoisotopicMass596.155196
CLogP3.905
CLogS-7.375
H Acceptors8
TotalSurfaceArea434.54
Relative PSA0.26173
PolarSurfaceArea132.07
Druglikeness7.0151
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms42
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms4
Amides2
BasicNitrogens1
StereoCon

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