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methyl (2E,5R)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Formula:C26H25N3O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none methyl (2E,5R)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a drug-like molecule.
MolNamemethyl (2E,5R)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MolecularFormulaC26H25N3O5S
SmilesCC(N=C(N([C@@H]1c(cc2)ccc2C(OC)=O)C2=O)S/C2=C/c(cc2)ccc2N(C)C)=C1C(OC)=O
InChIInChI=1S/C26H25N3O5S/c1-15-21(25(32)34-5)22(17-8-10-18(11-9-17)24(31)33-4)29-23(30)20(35-26(29)27-15)14-16-6-12-19(13-7-16)28(2)3/h6-14,22H,1-5H3/t22-/m0/s1
InChIKYTPWHERXRHYSNC-QFIPXVFZSA-N
TotalMolweight491.567
Molweight491.567
MonoisotopicMass491.151492
CLogP3.384
CLogS-4.737
H Acceptors8
TotalSurfaceArea361.76
Relative PSA0.26321
PolarSurfaceArea113.81
Druglikeness2.8596
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms5
Amides1
Amines1
Aromatic Amines1
StereoConthis enantiomer

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