1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one

Formula:C20H22N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one is a drug-like molecule.

MolName	1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one
MolecularFormula	C20H22N4O2
Smiles	CCC(N1N2ON=C(c3c(C)c(C)cc(C)c3C)N2c2c1cccc2)=O
InChI	InChI=1S/C20H22N4O2/c1-6-18(25)22-16-9-7-8-10-17(16)23-20(21-26-24(22)23)19-14(4)12(2)11-13(3)15(19)5/h7-11H,6H2,1-5H3
InChIK	YGLFZKSRQQFOMT-UHFFFAOYSA-N
TotalMolweight	350.421
Molweight	350.421
MonoisotopicMass	350.174276
CLogP	4.6544
CLogS	-4.511
H Acceptors	6
TotalSurfaceArea	262.7
Relative PSA	0.17206
PolarSurfaceArea	48.38
Druglikeness	3.5601
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - 1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one | 2 - 1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one

Request More Details | 1-[1-(2,3,5,6-tetramethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]propan-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments