Menu

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

Formula:C25H31N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-5-[[2-(3-morpholin-4-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-cyclohexyl-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H31N5O3S2
SmilesO=C(/C(/S1)=C/C2=C(NCCCN3CCOCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S
InChIInChI=1S/C25H31N5O3S2/c31-23-19(17-20-24(32)30(25(34)35-20)18-7-2-1-3-8-18)22(27-21-9-4-5-12-29(21)23)26-10-6-11-28-13-15-33-16-14-28/h4-5,9,12,17-18,26H,1-3,6-8,10-11,13-16H2
InChIKMADZVPDLFYXCAQ-UHFFFAOYSA-N
TotalMolweight513.685
Molweight513.685
MonoisotopicMass513.18683
CLogP0.9437
CLogS-4.786
H Acceptors8
H Donors1
TotalSurfaceArea385.28
Relative PSA0.29898
PolarSurfaceArea134.87
Druglikeness0.55148
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures5
Small Rings5
Sp3Atoms17
Symmetricatoms4
Amides2
Amines1
AlkylAmines1
BasicNitrogens2
StereoCon

Request More Details | (5Z)-3-cyclohexyl-5-[[2-(3-morpholin-4-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