200,000+ products from a single source!
sales@angenechem.com
16358-02-4 | Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-6-(phenylmethyl)-2,4-bis[(phenylmethyl)thio]-
CAS No: 16358-02-4 Catalog No: AG001U8K MDL No:
Product Description
Catalog Number:
AG001U8K
Chemical Name:
Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-6-(phenylmethyl)-2,4-bis[(phenylmethyl)thio]-
CAS Number:
16358-02-4
Molecular Formula:
C28H27N3S2
Molecular Weight:
469.6641
IUPAC Name:
6-benzyl-2,4-bis(benzylsulfanyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
InChI:
InChI=1S/C28H27N3S2/c1-4-10-22(11-5-1)18-31-17-16-26-25(19-31)27(32-20-23-12-6-2-7-13-23)30-28(29-26)33-21-24-14-8-3-9-15-24/h1-15H,16-21H2
InChI Key:
FACHDVGPWQVSBI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nc(SCc2ccccc2)nc2c1CN(CC2)Cc1ccccc1
NSC Number:
86875
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.165g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.665g/mol
Monoisotopic Mass:
469.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.