200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 144401-04-7
144401-04-7 | 2H-1,5-Benzodiazepin-2-one, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis[1,3,4,5-tetrahydro-4-methyl- (9CI)
CAS No: 144401-04-7 Catalog No: AG001JHD MDL No:
Product Description
Catalog Number:
AG001JHD
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis[1,3,4,5-tetrahydro-4-methyl- (9CI)
CAS Number:
144401-04-7
Molecular Formula:
C22H22N4O4
Molecular Weight:
406.4345
IUPAC Name:
1,2-bis(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethane-1,2-dione
InChI:
InChI=1S/C22H22N4O4/c1-13-11-19(27)23-15-7-3-5-9-17(15)25(13)21(29)22(30)26-14(2)12-20(28)24-16-8-4-6-10-18(16)26/h3-10,13-14H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChI Key:
OHQOVEOWZFHUTR-UHFFFAOYSA-N
SMILES:
O=C1CC(C)N(c2c(N1)cccc2)C(=O)C(=O)N1C(C)CC(=O)Nc2c1cccc2
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.442g/mol
Monoisotopic Mass:
406.164g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.