200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 749211-07-2
749211-07-2 | 2-({4-[(1-imino-2,3-dihydro-1H-isoindol-2-yl)methyl]phenyl}methyl)-2,3-dihydro-1H-isoindol-1-imine
CAS No: 749211-07-2 Catalog No: AG01B8F8 MDL No:MFCD03656989
Product Description
Catalog Number:
AG01B8F8
Chemical Name:
2-({4-[(1-imino-2,3-dihydro-1H-isoindol-2-yl)methyl]phenyl}methyl)-2,3-dihydro-1H-isoindol-1-imine
CAS Number:
749211-07-2
Molecular Formula:
C24H22N4
Molecular Weight:
366.4583
MDL Number:
MFCD03656989
IUPAC Name:
2-[[4-[(3-imino-1H-isoindol-2-yl)methyl]phenyl]methyl]-3H-isoindol-1-imine
InChI:
InChI=1S/C24H22N4/c25-23-21-7-3-1-5-19(21)15-27(23)13-17-9-11-18(12-10-17)14-28-16-20-6-2-4-8-22(20)24(28)26/h1-12,25-26H,13-16H2
InChI Key:
IWANDZJDFNVTIX-UHFFFAOYSA-N
SMILES:
N=C1N(Cc2ccc(cc2)CN2Cc3c(C2=N)cccc3)Cc2c1cccc2
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.184g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.468g/mol
Monoisotopic Mass:
366.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.