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

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

MolName	N-[(Z)-(3-bromophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H17N5OBrClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C23H17BrClN5OS/c24-18-8-4-5-16(13-18)14-26-27-21(31)15-32-23-29-28-22(17-6-2-1-3-7-17)30(23)20-11-9-19(25)10-12-20/h1-14H,15H2,(H,27,31)
InChIK	VBUJOJCTWUIRTP-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	0.53125
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	4
Aromatic Nitrogens	3
StereoCon

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

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