200,000+ products from a single source!
sales@angenechem.com
188559-10-6 | 1,3-Butanedione, 2-[(1S)-1-[3-[bis(phenylmethyl)amino]phenyl]propyl]-1-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]-, (2S)-
CAS No: 188559-10-6 Catalog No: AG002GYR MDL No:
Product Description
Catalog Number:
AG002GYR
Chemical Name:
1,3-Butanedione, 2-[(1S)-1-[3-[bis(phenylmethyl)amino]phenyl]propyl]-1-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]-, (2S)-
CAS Number:
188559-10-6
Molecular Formula:
C36H36N2O4
Molecular Weight:
560.6820
IUPAC Name:
(2S)-2-[(1S)-1-[3-(dibenzylamino)phenyl]propyl]-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butane-1,3-dione
InChI:
InChI=1S/C36H36N2O4/c1-3-32(34(26(2)39)35(40)38-33(25-42-36(38)41)29-18-11-6-12-19-29)30-20-13-21-31(22-30)37(23-27-14-7-4-8-15-27)24-28-16-9-5-10-17-28/h4-22,32-34H,3,23-25H2,1-2H3/t32-,33+,34-/m1/s1
InChI Key:
OFFBHRASEZKSAB-OUYGKKDFSA-N
SMILES:
CC[C@@H]([C@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)C(=O)C)c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
869
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
560.268g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.694g/mol
Monoisotopic Mass:
560.268g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.