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

Formula:C23H17N5OBr2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(3-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H17N5OBr2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C23H17Br2N5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h1-14H,15H2,(H,27,31)
InChIK	SLPIARLQVBHBPN-UHFFFAOYSA-N
TotalMolweight	571.296
Molweight	571.296
MonoisotopicMass	568.952052
CLogP	5.9822
CLogS	-10.084
H Acceptors	6
H Donors	1
TotalSurfaceArea	361.74
Relative PSA	0.22754
PolarSurfaceArea	97.47
Druglikeness	3.6355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
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-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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