Menu

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

Formula:C25H21N6O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-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-[(4-fluorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H21N6O2FS2
SmilesO=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)ccc2F)C1=S
InChIInChI=1S/C25H21FN6O2S2/c26-18-7-5-17(6-8-18)15-32-24(34)20(36-25(32)35)14-19-22(28-9-3-11-30-13-10-27-16-30)29-21-4-1-2-12-31(21)23(19)33/h1-2,4-8,10,12-14,16,28H,3,9,11,15H2
InChIKPEOKEUZNKCCIOH-UHFFFAOYSA-N
TotalMolweight520.612
Molweight520.612
MonoisotopicMass520.115142
CLogP0.8758
CLogS-4.774
H Acceptors8
H Donors1
TotalSurfaceArea383.23
Relative PSA0.31177
PolarSurfaceArea140.22
Druglikeness5.6323
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms6
Symmetricatoms2
Amides2
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

Request More Details | (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments