200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 100078-02-2

100078-02-2

100078-02-2 | Urea, N-[5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopentyl]-2-(methylsulfinyl)phenyl]-

CAS No: 100078-02-2 Catalog No: AG0000UR MDL No:

Product Description

Catalog Number:
AG0000UR
Chemical Name:
Urea, N-[5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopentyl]-2-(methylsulfinyl)phenyl]-
CAS Number:
100078-02-2
Molecular Formula:
C24H32N4O4S
Molecular Weight:
472.6003
IUPAC Name:
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
InChI:
InChI=1S/C24H32N4O4S/c1-32-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(33(2)31)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)
InChI Key:
KCCIQZUPIIOLMB-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCCCC(=O)c1ccc(c(c1)NC(=O)N)S(=O)C

Properties

Complexity:
671  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.214g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
472.604g/mol
Monoisotopic Mass:
472.214g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Related Products

© 2019 Angene International Limited. All rights Reserved.