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

Formula:C20H15N6O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-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)-furan-2-ylmethylideneamino]acetamide
MolecularFormula	C20H15N6O2BrS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Br)N/N=C\c1ccco1
InChI	InChI=1S/C20H15BrN6O2S/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	PBILAQQCRXDQAE-UHFFFAOYSA-N
TotalMolweight	483.349
Molweight	483.349
MonoisotopicMass	482.016055
CLogP	3.4448
CLogS	-8.137
H Acceptors	8
H Donors	1
TotalSurfaceArea	331.56
Relative PSA	0.32389
PolarSurfaceArea	123.5
Druglikeness	3.5093
Mutagenic	high
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)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

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