200,000+ products from a single source!
sales@angenechem.com
161364-78-9 | 1,3-Propanedione, 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-
CAS No: 161364-78-9 Catalog No: AG001SEM MDL No:
Product Description
Catalog Number:
AG001SEM
Chemical Name:
1,3-Propanedione, 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-
CAS Number:
161364-78-9
Molecular Formula:
C31H35N3O4S
Molecular Weight:
545.6923
IUPAC Name:
1-(4-benzhydrylpiperazin-1-yl)-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propane-1,3-dione
InChI:
InChI=1S/C31H35N3O4S/c1-37-26-14-8-9-15-27(26)38-23-30-34(20-21-39-30)29(36)22-28(35)32-16-18-33(19-17-32)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,30-31H,16-23H2,1H3
InChI Key:
FRFGTFWHWJMSFJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC1SCCN1C(=O)CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.235g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
545.698g/mol
Monoisotopic Mass:
545.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.