200,000+ products from a single source!
sales@angenechem.com
79665-30-8 | 2-Naphthalenecarboxamide,N-[4-(benzoylamino)phenyl]-4-[2-[5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-3-hydroxy-
CAS No: 79665-30-8 Catalog No: AG005INO MDL No:
Product Description
Catalog Number:
AG005INO
Chemical Name:
2-Naphthalenecarboxamide,N-[4-(benzoylamino)phenyl]-4-[2-[5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-3-hydroxy-
CAS Number:
79665-30-8
Molecular Formula:
C39H27ClF3N5O5
Molecular Weight:
738.1104
IUPAC Name:
N-(4-benzamidophenyl)-4-[[5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
InChI:
InChI=1S/C39H27ClF3N5O5/c1-53-33-18-11-24(37(51)46-31-21-25(39(41,42)43)12-17-30(31)40)20-32(33)47-48-34-28-10-6-5-9-23(28)19-29(35(34)49)38(52)45-27-15-13-26(14-16-27)44-36(50)22-7-3-2-4-8-22/h2-21,49H,1H3,(H,44,50)(H,45,52)(H,46,51)
InChI Key:
PWVSVPMRPDQSJD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
EC Number:
279-218-5
Properties
Complexity:
1280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
737.165g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
738.12g/mol
Monoisotopic Mass:
737.165g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
Related Products
© 2019 Angene International Limited. All rights Reserved.