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

Formula:C20H15N6OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormula	C20H15N6OBrS2
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Br)N/N=C\c1cccs1
InChI	InChI=1S/C20H15BrN6OS2/c21-15-3-5-16(6-4-15)27-19(14-7-9-22-10-8-14)25-26-20(27)30-13-18(28)24-23-12-17-2-1-11-29-17/h1-12H,13H2,(H,24,28)
InChIK	QXLTUTIPAOUOHR-UHFFFAOYSA-N
TotalMolweight	499.416
Molweight	499.416
MonoisotopicMass	497.99321
CLogP	4.1227
CLogS	-8.465
H Acceptors	7
H Donors	1
TotalSurfaceArea	337.81
Relative PSA	0.3364
PolarSurfaceArea	138.6
Druglikeness	4.9129
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
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)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

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