200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89587-01-9
89587-01-9 | 1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-2,4-bis(4-nitrophenyl)-
CAS No: 89587-01-9 Catalog No: AG003Z3X MDL No:
Product Description
Catalog Number:
AG003Z3X
Chemical Name:
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-2,4-bis(4-nitrophenyl)-
CAS Number:
89587-01-9
Molecular Formula:
C22H18N4O4
Molecular Weight:
402.4027
IUPAC Name:
2-methyl-2,4-bis(4-nitrophenyl)-1,3-dihydro-1,5-benzodiazepine
InChI:
InChI=1S/C22H18N4O4/c1-22(16-8-12-18(13-9-16)26(29)30)14-21(15-6-10-17(11-7-15)25(27)28)23-19-4-2-3-5-20(19)24-22/h2-13,24H,14H2,1H3
InChI Key:
UAJBUDHMYDZEPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=Nc2ccccc2NC(C1)(C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.133g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.41g/mol
Monoisotopic Mass:
402.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.