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

Formula:C27H19N5OClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenyl)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-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C27H19N5OClFS2
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1nnc(SCc(cc2)ccc2Cl)s1
InChI	InChI=1S/C27H19ClFN5OS2/c28-21-11-6-18(7-12-21)17-36-27-32-31-26(37-27)30-24(35)15-10-20-16-34(23-4-2-1-3-5-23)33-25(20)19-8-13-22(29)14-9-19/h1-16H,17H2,(H,30,31,35)
InChIK	GCMPHTPHLDSBJI-UHFFFAOYSA-N
TotalMolweight	548.065
Molweight	548.065
MonoisotopicMass	547.070355
CLogP	6.0612
CLogS	-8.269
H Acceptors	6
H Donors	1
TotalSurfaceArea	402.45
Relative PSA	0.25377
PolarSurfaceArea	126.24
Druglikeness	2.0917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56757
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	6
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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