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

Formula:C23H17N5OBrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
MolecularFormula	C23H17N5OBrClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C23H17BrClN5OS/c24-18-10-8-17(9-11-18)22-28-29-23(30(22)20-4-2-1-3-5-20)32-15-21(31)27-26-14-16-6-12-19(25)13-7-16/h1-14H,15H2,(H,27,31)
InChIK	NTBVYLFCQHCEFH-UHFFFAOYSA-N
TotalMolweight	526.845
Molweight	526.845
MonoisotopicMass	525.002568
CLogP	5.863
CLogS	-9.986
H Acceptors	6
H Donors	1
TotalSurfaceArea	358.53
Relative PSA	0.22958
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	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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