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

Formula:C20H14N6OBr2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C20H14N6OBr2S2
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Br)N/N=C\c(s1)ccc1Br
InChI	InChI=1S/C20H14Br2N6OS2/c21-14-1-3-15(4-2-14)28-19(13-7-9-23-10-8-13)26-27-20(28)30-12-18(29)25-24-11-16-5-6-17(22)31-16/h1-11H,12H2,(H,25,29)
InChIK	ZCJABPFBGLDISE-UHFFFAOYSA-N
TotalMolweight	578.312
Molweight	578.312
MonoisotopicMass	575.903721
CLogP	5.0526
CLogS	-9.316
H Acceptors	7
H Donors	1
TotalSurfaceArea	356.44
Relative PSA	0.31882
PolarSurfaceArea	138.6
Druglikeness	3.0095
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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

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