MTOR inhibitor-1

CAT: 0127-BUP05894-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05894-01Size:2 mg

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CAS Number

468747-17-3

Purity

=98%

Smiles

C\C(=N/NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1O

Chemical Information

3-bromo-N'-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]-4-methylbenzohydrazide

CAS Number	468747-17-3
PubChem CID	1013573
IUPAC Name	3-bromo-N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methylbenzamide
Molecular Formula	C16H15BrN2O3
Molecular Weight	363.21
XLogP	3.4
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	430

SMILES

CC1=C(C=C(C=C1)C(=O)NN=C(C)C2=C(C=C(C=C2)O)O)Br

InChI

InChI=1S/C16H15BrN2O3/c1-9-3-4-11(7-14(9)17)16(22)19-18-10(2)13-6-5-12(20)8-15(13)21/h3-8,20-21H,1-2H3,(H,19,22)

InChIKey

NKMSVTGHOVMMHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 468747-17-3

CID: 1013573

Formula: C16H15BrN2O3

MW: 363.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.21
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	362.02660
Monoisotopic Mass	362.02660
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes