(E)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Formula:C24H15N4O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C24H15N4O2F3S
Smiles	N#C/C(/C(Nc1nnc(C(F)(F)F)s1)=O)=C\c(cc1)ccc1OCc1cc2ccccc2cc1
InChI	InChI=1S/C24H15F3N4O2S/c25-24(26,27)22-30-31-23(34-22)29-21(32)19(13-28)11-15-6-9-20(10-7-15)33-14-16-5-8-17-3-1-2-4-18(17)12-16/h1-12H,14H2,(H,29,31,32)
InChIK	MNTCFFWUUUFHLA-UHFFFAOYSA-N
TotalMolweight	480.469
Molweight	480.469
MonoisotopicMass	480.08678
CLogP	5.2221
CLogS	-6.702
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.69
Relative PSA	0.2584
PolarSurfaceArea	116.14
Druglikeness	-13.09
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide | 2 - (E)-2-cyano-3-[4-(naphthalen-2-ylmethoxy)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

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