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

Formula:C28H29N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC28H29N5O2S2
SmilesO=C(/C(/S1)=C/C2=C(N3CCN(Cc4ccccc4)CC3)N=C(C=CC=C3)N3C2=O)N(C2CCCC2)C1=S
InChIInChI=1S/C28H29N5O2S2/c34-26-22(18-23-27(35)33(28(36)37-23)21-10-4-5-11-21)25(29-24-12-6-7-13-32(24)26)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-3,6-9,12-13,18,21H,4-5,10-11,14-17,19H2
InChIKSEPBDHIEPNNESO-UHFFFAOYSA-N
TotalMolweight531.703
Molweight531.703
MonoisotopicMass531.176265
CLogP2.2415
CLogS-5.286
H Acceptors7
TotalSurfaceArea392.6
Relative PSA0.24778
PolarSurfaceArea116.85
Druglikeness5.3893
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms13
Symmetricatoms6
Amides2
Amines1
AlkylAmines1
BasicNitrogens2
StereoCon

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