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4-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Formula:C20H22N4O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is a drug-like molecule.
MolName4-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormulaC20H22N4O6S2
SmilesOCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCC(O)=O)=O)\SC1=S)C2=O
InChIInChI=1S/C20H22N4O6S2/c25-9-11-30-10-6-21-17-13(18(28)23-7-2-1-4-15(23)22-17)12-14-19(29)24(20(31)32-14)8-3-5-16(26)27/h1-2,4,7,12,21,25H,3,5-6,8-11H2,(H,26,27)
InChIKZVQIAOUMRGSPEO-UHFFFAOYSA-N
TotalMolweight478.549
Molweight478.549
MonoisotopicMass478.098076
CLogP-1.3683
CLogS-3.481
H Acceptors10
H Donors3
TotalSurfaceArea351.13
Relative PSA0.4297
PolarSurfaceArea189.16
Druglikeness1.9226
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionspolar activated DB
Shape Index0.5625
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond11
Rings Closures3
Small Rings3
Sp3Atoms12
Amides2
BasicNitrogens1
AcidicOxygens1
StereoCon

Request More Details | 4-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid


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