200,000+ products from a single source!
sales@angenechem.com
216169-17-4 | 2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide
CAS No: 216169-17-4 Catalog No: AG01EUIZ MDL No:
Product Description
Catalog Number:
AG01EUIZ
Chemical Name:
2-[(8Z)-5-Ethoxy-8-(phenylimino)-8H-[1,2,4]triazolo[3,2-c][1,4]thiazin-6-yl]-N-phenyloctanethioamide
CAS Number:
216169-17-4
Molecular Formula:
C27H31N5OS2
Molecular Weight:
505.6979
IUPAC Name:
2-(5-ethoxy-8-phenylimino-[1,2,4]triazolo[5,1-c][1,4]thiazin-6-yl)-N-phenyloctanethioamide
InChI:
InChI=1S/C27H31N5OS2/c1-3-5-6-13-18-22(25(34)30-20-14-9-7-10-15-20)23-27(33-4-2)32-24(28-19-29-32)26(35-23)31-21-16-11-8-12-17-21/h7-12,14-17,19,22H,3-6,13,18H2,1-2H3,(H,30,34)
InChI Key:
NRYOQMLQEIMVGR-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1s/c(=N\c2ccccc2)/c2n(c1OCC)ncn2)C(=S)Nc1ccccc1
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.197g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.699g/mol
Monoisotopic Mass:
505.197g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.