200,000+ products from a single source!
sales@angenechem.com
121497-12-9 | 3,5-Pyridinedicarboxylic acid, 4-[2-chloro-6-[4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl]-3-quinolinyl]-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
CAS No: 121497-12-9 Catalog No: AG00152L MDL No:
Product Description
Catalog Number:
AG00152L
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-[2-chloro-6-[4-(methoxycarbonyl)-2,5-dimethyl-3-furanyl]-3-quinolinyl]-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
CAS Number:
121497-12-9
Molecular Formula:
C28H27ClN2O7
Molecular Weight:
538.9762
IUPAC Name:
dimethyl 4-[2-chloro-6-(4-methoxycarbonyl-2,5-dimethylfuran-3-yl)quinolin-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C28H27ClN2O7/c1-12-20(26(32)35-5)24(21(13(2)30-12)27(33)36-6)18-11-17-10-16(8-9-19(17)31-25(18)29)22-14(3)38-15(4)23(22)28(34)37-7/h8-11,24,30H,1-7H3
InChI Key:
YNOHXMCFGACTGL-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)NC(=C(C1c1cc2cc(ccc2nc1Cl)c1c(C)oc(c1C(=O)OC)C)C(=O)OC)C
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.151g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
538.981g/mol
Monoisotopic Mass:
538.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.