200,000+ products from a single source!
sales@angenechem.com
116169-18-7 | 3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-, 3-methyl 5-(1-methylethyl) ester
CAS No: 116169-18-7 Catalog No: AG000BTA MDL No:
Product Description
Catalog Number:
AG000BTA
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-, 3-methyl 5-(1-methylethyl) ester
CAS Number:
116169-18-7
Molecular Formula:
C19H19N3O5
Molecular Weight:
369.3713
IUPAC Name:
5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
InChI:
InChI=1S/C19H19N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9H,1-5H3
InChI Key:
XXUCEEUFISNYCI-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)nc(c(c1c1cccc2c1non2)C(=O)OC(C)C)C
UNII:
JPS7AGG1GU
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.377g/mol
Monoisotopic Mass:
369.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.