N-[5-[(E)-1-cyano-2-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C25H15N4O2Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[5-[(E)-1-cyano-2-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C25H15N4O2Cl3S
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1cc(Cl)cc(Cl)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C25H15Cl3N4O2S/c26-19-8-6-15(7-9-19)14-34-22-17(11-20(27)12-21(22)28)10-18(13-29)24-31-32-25(35-24)30-23(33)16-4-2-1-3-5-16/h1-12H,14H2,(H,30,32,33)
InChIK	LDYVWEDGXPRPTJ-UHFFFAOYSA-N
TotalMolweight	541.845
Molweight	541.845
MonoisotopicMass	539.998127
CLogP	6.4892
CLogS	-7.897
H Acceptors	6
H Donors	1
TotalSurfaceArea	391.65
Relative PSA	0.23072
PolarSurfaceArea	116.14
Druglikeness	-0.30656
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - N-[5-[(E)-1-cyano-2-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[(E)-1-cyano-2-[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

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