Menu

(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H22N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC21H22N4O3S2
SmilesO=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C21H22N4O3S2/c26-19-15(12-16-20(27)25(21(29)30-16)13-14-6-5-11-28-14)18(23-8-3-4-9-23)22-17-7-1-2-10-24(17)19/h1-2,7,10,12,14H,3-6,8-9,11,13H2/t14-/m1/s1
InChIKQLBJGPQTYGUARD-CQSZACIVSA-N
TotalMolweight442.563
Molweight442.563
MonoisotopicMass442.113331
CLogP0.6221
CLogS-4.461
H Acceptors7
TotalSurfaceArea318.78
Relative PSA0.3254
PolarSurfaceArea122.84
Druglikeness5.0364
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.46667
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures5
Small Rings5
Sp3Atoms12
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConracemate

Request More Details | (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[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