Menu

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H21N4O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-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-[(2-chlorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H21N4O3ClS2
SmilesOC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc(cccc3)c3Cl)=O)\SC1=S)C2=O)c1ccccc1
InChIInChI=1S/C27H21ClN4O3S2/c28-20-11-5-4-10-18(20)16-32-26(35)22(37-27(32)36)14-19-24(29-15-21(33)17-8-2-1-3-9-17)30-23-12-6-7-13-31(23)25(19)34/h1-14,21,29,33H,15-16H2/t21-/m0/s1
InChIKFFRWXEDQRDWBJQ-NRFANRHFSA-N
TotalMolweight549.074
Molweight549.074
MonoisotopicMass548.074358
CLogP2.067
CLogS-6.398
H Acceptors7
H Donors2
TotalSurfaceArea395.67
Relative PSA0.28999
PolarSurfaceArea142.63
Druglikeness6.8055
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConracemate

Request More Details | (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-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