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(5Z)-3-[(2-chlorophenyl)methyl]-5-[[4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H21N4O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(2-chlorophenyl)methyl]-5-[[4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]pyrido[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-[[4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC24H21N4O3ClS2
SmilesO=C(/C(/S1)=C/C2=C(NC[C@H]3OCCC3)N=C(C=CC=C3)N3C2=O)N(Cc(cccc2)c2Cl)C1=S
InChIInChI=1S/C24H21ClN4O3S2/c25-18-8-2-1-6-15(18)14-29-23(31)19(34-24(29)33)12-17-21(26-13-16-7-5-11-32-16)27-20-9-3-4-10-28(20)22(17)30/h1-4,6,8-10,12,16,26H,5,7,11,13-14H2/t16-/m0/s1
InChIKGAFVNVPSGMSNPI-INIZCTEOSA-N
TotalMolweight513.041
Molweight513.041
MonoisotopicMass512.074358
CLogP1.5887
CLogS-6.196
H Acceptors7
H Donors1
TotalSurfaceArea367.34
Relative PSA0.30391
PolarSurfaceArea131.63
Druglikeness4.2625
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms9
Amides2
BasicNitrogens1
StereoConthis enantiomer

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