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

Formula:C29H22N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
MolecularFormula	C29H22N5OBrS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Br)N/N=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C29H22BrN5OS/c30-25-15-17-26(18-16-25)35-28(24-9-5-2-6-10-24)33-34-29(35)37-20-27(36)32-31-19-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-19H,20H2,(H,32,36)
InChIK	AWDBAMVKAHEVEQ-UHFFFAOYSA-N
TotalMolweight	568.498
Molweight	568.498
MonoisotopicMass	567.072841
CLogP	6.9162
CLogS	-11.336
H Acceptors	6
H Donors	1
TotalSurfaceArea	402.87
Relative PSA	0.20431
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	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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

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