Menu

(5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H22N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H22N4O5S2
SmilesO=C(/C(/S1)=C/C2=C(NCc(cc3)cc4c3OCO4)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C25H22N4O5S2/c30-23-17(11-20-24(31)29(25(35)36-20)13-16-4-3-9-32-16)22(27-21-5-1-2-8-28(21)23)26-12-15-6-7-18-19(10-15)34-14-33-18/h1-2,5-8,10-11,16,26H,3-4,9,12-14H2/t16-/m1/s1
InChIKSOKMVISXILWBFB-MRXNPFEDSA-N
TotalMolweight522.605
Molweight522.605
MonoisotopicMass522.103161
CLogP1.0941
CLogS-6.171
H Acceptors9
H Donors1
TotalSurfaceArea372.18
Relative PSA0.3537
PolarSurfaceArea150.09
Druglikeness4.201
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.47222
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms12
Amides2
BasicNitrogens1
StereoConracemate

Request More Details | (5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one


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