200,000+ products from a single source!
sales@angenechem.com
125766-39-4 | 5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-
CAS No: 125766-39-4 Catalog No: AG000OOK MDL No:
Product Description
Catalog Number:
AG000OOK
Chemical Name:
5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-
CAS Number:
125766-39-4
Molecular Formula:
C17H9ClN4O4S
Molecular Weight:
400.7958
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
InChI:
InChI=1S/C17H9ClN4O4S/c18-10-2-4-11(5-3-10)21-15(23)19-16-22(17(21)24)20-14(27-16)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2
InChI Key:
BOIZBJZAQCYJHB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(=O)nc2n(c1=O)nc(s2)c1ccc2c(c1)OCO2
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.003g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.793g/mol
Monoisotopic Mass:
400.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.