C29H34N4O5S | Cheminformatics
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ethyl (5S)-5-(3-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Formula:C29H34N4O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none ethyl (5S)-5-(3-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.
MolNameethyl (5S)-5-(3-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MolecularFormulaC29H34N4O5S
SmilesCCCC(N=C(N([C@H]1c2cc(OC)ccc2)C2=O)SC2=Cc2ccc(N3CCN(C)CC3)o2)=C1C(OCC)=O
InChIInChI=1S/C29H34N4O5S/c1-5-8-22-25(28(35)37-6-2)26(19-9-7-10-20(17-19)36-4)33-27(34)23(39-29(33)30-22)18-21-11-12-24(38-21)32-15-13-31(3)14-16-32/h7,9-12,17-18,26H,5-6,8,13-16H2,1-4H3/t26-/m0/s1
InChIKVOSGGONBXPHLKF-SANMLTNESA-N
TotalMolweight550.678
Molweight550.678
MonoisotopicMass550.224991
CLogP4.1382
CLogS-5.23
H Acceptors9
TotalSurfaceArea414.56
Relative PSA0.24083
PolarSurfaceArea113.12
Druglikeness4.0655
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms39
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms16
Symmetricatoms2
Amides1
Amines1
AlkylAmines1
BasicNitrogens1
StereoConthis enantiomer

Request More Details | ethyl (5S)-5-(3-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate


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