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

Formula:C29H22N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C29H22N5O2BrS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C29H22BrN5O2S/c30-23-16-14-22(15-17-23)28-33-34-29(35(28)24-9-3-1-4-10-24)38-20-27(36)32-31-19-21-8-7-13-26(18-21)37-25-11-5-2-6-12-25/h1-19H,20H2,(H,32,36)
InChIK	LVCACMMLZKLKOR-UHFFFAOYSA-N
TotalMolweight	584.497
Molweight	584.497
MonoisotopicMass	583.067756
CLogP	6.6526
CLogS	-11.547
H Acceptors	7
H Donors	1
TotalSurfaceArea	412.87
Relative PSA	0.22358
PolarSurfaceArea	106.7
Druglikeness	3.5489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
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)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide

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