7-methyl-3-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-1,2-benzoxazole

Formula:C19H15N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-methyl-3-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-1,2-benzoxazole is a drug-like molecule.

MolName	7-methyl-3-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-1,2-benzoxazole
MolecularFormula	C19H15N5OS
Smiles	Cc(cc1)ccc1-c1nnc2sc(Cc3noc4c3cccc4C)nn12
InChI	InChI=1S/C19H15N5OS/c1-11-6-8-13(9-7-11)18-20-21-19-24(18)22-16(26-19)10-15-14-5-3-4-12(2)17(14)25-23-15/h3-9H,10H2,1-2H3
InChIK	RAPAAMDHEGFPND-UHFFFAOYSA-N
TotalMolweight	361.428
Molweight	361.428
MonoisotopicMass	361.09973
CLogP	3.2772
CLogS	-4.134
H Acceptors	6
TotalSurfaceArea	271.58
Relative PSA	0.31777
PolarSurfaceArea	97.35
Druglikeness	4.7226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 7-methyl-3-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-1,2-benzoxazole | 2 - 7-methyl-3-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]-1,2-benzoxazole

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