200,000+ products from a single source!
sales@angenechem.com
747414-24-0 | 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-(4-(MorpholinoMethyl)phenyl)isoxazole-3-carboxaMide
CAS No: 747414-24-0 Catalog No: AG00FBYZ MDL No:
Product Description
Catalog Number:
AG00FBYZ
Chemical Name:
5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-(4-(MorpholinoMethyl)phenyl)isoxazole-3-carboxaMide
CAS Number:
747414-24-0
Molecular Formula:
C40H43N3O5
Molecular Weight:
645.7865
IUPAC Name:
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C40H43N3O5/c1-4-41-40(44)38-37(32-17-15-29(16-18-32)25-43-19-21-45-22-20-43)39(48-42-38)34-23-33(28(2)3)35(46-26-30-11-7-5-8-12-30)24-36(34)47-27-31-13-9-6-10-14-31/h5-18,23-24,28H,4,19-22,25-27H2,1-3H3,(H,41,44)
InChI Key:
XPXSLNCYHCALKY-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
645.32g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
645.8g/mol
Monoisotopic Mass:
645.32g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.