4-[5-[(Z)-[2-(2-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide

Formula:C21H13N4O4BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-[5-[(Z)-[2-(2-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide is not a drug-like molecule.

MolName	4-[5-[(Z)-[2-(2-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
MolecularFormula	C21H13N4O4BrS2
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C2\Sc3nc(-c(cccc4)c4Br)nn3C2=O)o1)(=O)=O
InChI	InChI=1S/C21H13BrN4O4S2/c22-16-4-2-1-3-15(16)19-24-21-26(25-19)20(27)18(31-21)11-13-7-10-17(30-13)12-5-8-14(9-6-12)32(23,28)29/h1-11H,(H2,23,28,29)
InChIK	UPJKPIZJEKVMGJ-UHFFFAOYSA-N
TotalMolweight	529.394
Molweight	529.394
MonoisotopicMass	527.956157
CLogP	3.7835
CLogS	-7.743
H Acceptors	8
H Donors	1
TotalSurfaceArea	331.13
Relative PSA	0.35424
PolarSurfaceArea	154.76
Druglikeness	3.2012
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 4-[5-[(Z)-[2-(2-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-[2-(2-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide

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