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

Formula:C31H22N5OFS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C31H22N5OFS2
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1nnc(SCc2cccc3ccccc23)s1
InChI	InChI=1S/C31H22FN5OS2/c32-25-16-13-22(14-17-25)29-23(19-37(36-29)26-10-2-1-3-11-26)15-18-28(38)33-30-34-35-31(40-30)39-20-24-9-6-8-21-7-4-5-12-27(21)24/h1-19H,20H2,(H,33,34,38)
InChIK	RDFAHTNJWFHEAF-UHFFFAOYSA-N
TotalMolweight	563.68
Molweight	563.68
MonoisotopicMass	563.124978
CLogP	6.6496
CLogS	-9.139
H Acceptors	6
H Donors	1
TotalSurfaceArea	421.63
Relative PSA	0.24223
PolarSurfaceArea	126.24
Druglikeness	2.045
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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