2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide

Formula:C23H17N5O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormula	C23H17N5O2Cl2S
Smiles	Oc1cccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c(cc2)ccc2Cl)=O)c1
InChI	InChI=1S/C23H17Cl2N5O2S/c24-17-6-4-16(5-7-17)22-28-29-23(30(22)19-10-8-18(25)9-11-19)33-14-21(32)27-26-13-15-2-1-3-20(31)12-15/h1-13,31H,14H2,(H,27,32)
InChIK	AWDQLJUUPPAUMX-UHFFFAOYSA-N
TotalMolweight	498.393
Molweight	498.393
MonoisotopicMass	497.047999
CLogP	5.3981
CLogS	-9.592
H Acceptors	7
H Donors	2
TotalSurfaceArea	361.67
Relative PSA	0.2638
PolarSurfaceArea	117.7
Druglikeness	5.4326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide

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