200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1266620-74-9
1266620-74-9 | Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfonyl]methyl]-
CAS No: 1266620-74-9 Catalog No: AG000T18 MDL No:
Product Description
Catalog Number:
AG000T18
Chemical Name:
Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfonyl]methyl]-
CAS Number:
1266620-74-9
Molecular Formula:
C35H36ClNO5S
Molecular Weight:
618.1820
IUPAC Name:
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfonylmethyl]cyclopropyl]acetic acid
InChI:
InChI=1S/C35H36ClNO5S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(43(41,42)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
InChI Key:
SSYLIWVHJBIYCX-TZIWLTJVSA-N
SMILES:
OC(=O)CC1(CC1)CS(=O)(=O)[C@@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)CCc1ccccc1C(O)(C)C
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
617.2g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
618.185g/mol
Monoisotopic Mass:
617.2g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.