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

Formula:C23H16N5OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
MolecularFormula	C23H16N5OBrCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(cccc1)c1Br
InChI	InChI=1S/C23H16BrCl2N5OS/c24-20-4-2-1-3-16(20)13-27-28-21(32)14-33-23-30-29-22(15-5-7-17(25)8-6-15)31(23)19-11-9-18(26)10-12-19/h1-13H,14H2,(H,28,32)
InChIK	KMSXTDYKYIYVTL-UHFFFAOYSA-N
TotalMolweight	561.29
Molweight	561.29
MonoisotopicMass	558.963595
CLogP	6.469
CLogS	-10.722
H Acceptors	6
H Donors	1
TotalSurfaceArea	373.95
Relative PSA	0.22011
PolarSurfaceArea	97.47
Druglikeness	3.6589
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	2
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)-(2-bromophenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide

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