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1239262-52-2 | Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1239262-52-2 Catalog No: AG000L8H MDL No:MFCD18071463
Product Description
Catalog Number:
AG000L8H
Chemical Name:
Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1239262-52-2
Molecular Formula:
C22H22F3N3O4
Molecular Weight:
449.4230
MDL Number:
MFCD18071463
IUPAC Name:
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C20H21N3O2.C2HF3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;3-2(4,5)1(6)7/h2-9,25H,10-13H2,1H3,(H,21,24);(H,6,7)
InChI Key:
AVAOVICSJJIYRZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.156g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
449.43g/mol
Monoisotopic Mass:
449.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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