ethyl (2Z,5R)-2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Formula:C28H26N2O8S Mutagenic:none Tumorigenic:none Reproductive Effective:high ethyl (2Z,5R)-2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.

MolName	ethyl (2Z,5R)-2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MolecularFormula	C28H26N2O8S
Smiles	CCOC(C([C@@H](c(cc1)ccc1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OC(C)=O)=O
InChI	InChI=1S/C28H26N2O8S/c1-6-36-27(34)24-15(2)29-28-30(25(24)19-8-10-20(11-9-19)37-16(3)31)26(33)23(39-28)14-18-7-12-21(38-17(4)32)22(13-18)35-5/h7-14,25H,6H2,1-5H3/t25-/m0/s1
InChIK	VUPPLOWXEISRMM-VWLOTQADSA-N
TotalMolweight	550.586
Molweight	550.586
MonoisotopicMass	550.140988
CLogP	3.8843
CLogS	-5.478
H Acceptors	10
TotalSurfaceArea	402.97
Relative PSA	0.30948
PolarSurfaceArea	146.1
Druglikeness	0.84932
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - ethyl (2Z,5R)-2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | 2 - ethyl (2Z,5R)-2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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