200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 122852-43-1
122852-43-1 | 2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]- 1H-pyrido[4,3-b]indol-1-one (2Z)-2-butenedioate
CAS No: 122852-43-1 Catalog No: AG009C8V MDL No:MFCD00903897
Product Description
Catalog Number:
AG009C8V
Chemical Name:
2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]- 1H-pyrido[4,3-b]indol-1-one (2Z)-2-butenedioate
CAS Number:
122852-43-1
Molecular Formula:
C21H22N4O5
Molecular Weight:
410.4232
MDL Number:
MFCD00903897
IUPAC Name:
(Z)-but-2-enedioic acid;5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
InChI:
InChI=1S/C17H18N4O.C4H4O4/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;5-3(6)1-2-4(7)8/h3-6,10H,7-9H2,1-2H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
XCPGTDZMQXRLAW-BTJKTKAUSA-N
SMILES:
O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C.OC(=O)/C=C\C(=O)O
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
410.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.43g/mol
Monoisotopic Mass:
410.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.