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

Formula:C27H26N5O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-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-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H26N5O3ClS2
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)CCN3c3cccc(Cl)c3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C27H26ClN5O3S2/c28-18-5-3-6-19(15-18)30-10-12-31(13-11-30)24-21(25(34)32-9-2-1-8-23(32)29-24)16-22-26(35)33(27(37)38-22)17-20-7-4-14-36-20/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2/t20-/m1/s1
InChIKMCKVUEBFXRSXNV-HXUWFJFHSA-N
TotalMolweight568.12
Molweight568.12
MonoisotopicMass567.116557
CLogP2.0107
CLogS-5.925
H Acceptors8
TotalSurfaceArea404.26
Relative PSA0.26537
PolarSurfaceArea126.08
Druglikeness5.8662
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms12
Symmetricatoms2
Amides2
Amines1
Aromatic Amines1
BasicNitrogens1
StereoConracemate

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