(E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C27H19N5OF2S2 Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C27H19N5OF2S2
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1nnc(SCc(cccc2)c2F)s1
InChI	InChI=1S/C27H19F2N5OS2/c28-21-13-10-18(11-14-21)25-19(16-34(33-25)22-7-2-1-3-8-22)12-15-24(35)30-26-31-32-27(37-26)36-17-20-6-4-5-9-23(20)29/h1-16H,17H2,(H,30,31,35)
InChIK	DMZVCOFUGGTTAR-UHFFFAOYSA-N
TotalMolweight	531.61
Molweight	531.61
MonoisotopicMass	531.099906
CLogP	5.556
CLogS	-7.847
H Acceptors	6
H Donors	1
TotalSurfaceArea	393.38
Relative PSA	0.25962
PolarSurfaceArea	126.24
Druglikeness	2.045
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide | 2 - (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

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