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

Formula:C28H21N4O2FS2 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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC28H21N4O2FS2
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)Cc4c3cccc4)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)ccc2F)C1=S
InChIInChI=1S/C28H21FN4O2S2/c29-21-10-8-18(9-11-21)16-33-27(35)23(37-28(33)36)15-22-25(30-24-7-3-4-13-32(24)26(22)34)31-14-12-19-5-1-2-6-20(19)17-31/h1-11,13,15H,12,14,16-17H2
InChIKXRAXPXCHTIQRLO-UHFFFAOYSA-N
TotalMolweight528.631
Molweight528.631
MonoisotopicMass528.108994
CLogP2.5641
CLogS-6.399
H Acceptors6
TotalSurfaceArea380.61
Relative PSA0.24626
PolarSurfaceArea113.61
Druglikeness4.4166
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms2
Amides2
BasicNitrogens1
StereoCon

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