200,000+ products from a single source!
sales@angenechem.com
87001-12-5 | Dodecanamide,N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-
CAS No: 87001-12-5 Catalog No: AG004KAY MDL No:
Product Description
Catalog Number:
AG004KAY
Chemical Name:
Dodecanamide,N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-
CAS Number:
87001-12-5
Molecular Formula:
C39H40Cl4N4O6S
Molecular Weight:
834.6351
IUPAC Name:
N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide
InChI:
InChI=1S/C39H40Cl4N4O6S/c1-2-3-4-5-6-7-8-9-10-35(53-28-14-18-30(19-15-28)54(51,52)29-16-12-27(48)13-17-29)39(50)44-26-11-20-31(41)34(23-26)45-36-24-37(49)47(46-36)38-32(42)21-25(40)22-33(38)43/h11-23,35,48H,2-10,24H2,1H3,(H,44,50)(H,45,46)
InChI Key:
JTVOJWAROXFHTH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(C(=O)Nc1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl)Cl)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
EC Number:
289-293-6
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
834.139g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
834.631g/mol
Monoisotopic Mass:
832.142g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.