(E)-N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide

Formula:C25H19N4OCl2FS Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide
MolecularFormula	C25H19N4OCl2FS
Smiles	O=C(/C=C/c1ccccc1)NCc(n1-c(cc(cc2)Cl)c2Cl)nnc1SCc(cc1)ccc1F
InChI	InChI=1S/C25H19Cl2FN4OS/c26-19-9-12-21(27)22(14-19)32-23(15-29-24(33)13-8-17-4-2-1-3-5-17)30-31-25(32)34-16-18-6-10-20(28)11-7-18/h1-14H,15-16H2,(H,29,33)
InChIK	KZJHSZZCQFZKCE-UHFFFAOYSA-N
TotalMolweight	513.423
Molweight	513.423
MonoisotopicMass	512.064063
CLogP	5.4838
CLogS	-8.821
H Acceptors	5
H Donors	1
TotalSurfaceArea	377.17
Relative PSA	0.18771
PolarSurfaceArea	85.11
Druglikeness	0.98529
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (E)-N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-enamide

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