[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate

Formula:C30H29N5O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate is not a drug-like molecule.

MolName	[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate
MolecularFormula	C30H29N5O2Cl2S
Smiles	CC(/C(/Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1)=N\Nc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C30H29Cl2N5O2S/c1-20(38)29(35-33-27-17-14-23(31)18-26(27)32)40-30-36-34-28(37(30)24-10-6-3-7-11-24)19-39-25-15-12-22(13-16-25)21-8-4-2-5-9-21/h3,6-7,10-18,21,33H,2,4-5,8-9,19H2,1H3
InChIK	DOXNMYTWLOLSLM-UHFFFAOYSA-N
TotalMolweight	594.565
Molweight	594.565
MonoisotopicMass	593.141899
CLogP	8.2203
CLogS	-8.849
H Acceptors	7
H Donors	1
TotalSurfaceArea	443.59
Relative PSA	0.2081
PolarSurfaceArea	106.7
Druglikeness	-1.4477
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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1 - [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate | 2 - [5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate

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