methyl 2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

Formula:C20H14N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl 2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate is a drug-like molecule.

MolName	methyl 2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
MolecularFormula	C20H14N3O2FS
Smiles	COC(c(cccc1)c1N/C=C(\c1nc(-c(cc2)ccc2F)cs1)/C#N)=O
InChI	InChI=1S/C20H14FN3O2S/c1-26-20(25)16-4-2-3-5-17(16)23-11-14(10-22)19-24-18(12-27-19)13-6-8-15(21)9-7-13/h2-9,11-12,23H,1H3
InChIK	LTGCZKZOEXTZEF-UHFFFAOYSA-N
TotalMolweight	379.414
Molweight	379.414
MonoisotopicMass	379.079075
CLogP	3.0974
CLogS	-4.838
H Acceptors	5
H Donors	1
TotalSurfaceArea	291.72
Relative PSA	0.27214
PolarSurfaceArea	103.25
Druglikeness	-5.3146
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - methyl 2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate | 2 - methyl 2-[[(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

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