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6-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C26H26N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.
MolName6-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormulaC26H26N4O5S2
SmilesOC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)C2=O)c1ccccc1
InChIInChI=1S/C26H26N4O5S2/c31-19(17-9-3-1-4-10-17)16-27-23-18(24(34)29-13-8-6-11-21(29)28-23)15-20-25(35)30(26(36)37-20)14-7-2-5-12-22(32)33/h1,3-4,6,8-11,13,15,19,27,31H,2,5,7,12,14,16H2,(H,32,33)/t19-/m0/s1
InChIKYYIFXLNGROFZMR-IBGZPJMESA-N
TotalMolweight538.647
Molweight538.647
MonoisotopicMass538.134461
CLogP0.9315
CLogS-5.194
H Acceptors9
H Donors3
TotalSurfaceArea399.63
Relative PSA0.35253
PolarSurfaceArea179.93
Druglikeness-2.736
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Symmetricatoms2
Amides2
BasicNitrogens1
AcidicOxygens1
StereoConracemate

Request More Details | 6-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid


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