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101411-53-4 | 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2-[(2-hydroxyethoxy)methyl]-6-methyl-, 3-ethyl 5-methyl ester
CAS No: 101411-53-4 Catalog No: AG0004FE MDL No:
Product Description
Catalog Number:
AG0004FE
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2-[(2-hydroxyethoxy)methyl]-6-methyl-, 3-ethyl 5-methyl ester
CAS Number:
101411-53-4
Molecular Formula:
C20H23Cl2NO6
Molecular Weight:
444.3057
IUPAC Name:
3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C20H23Cl2NO6/c1-4-29-20(26)17-14(10-28-9-8-24)23-11(2)15(19(25)27-3)16(17)12-6-5-7-13(21)18(12)22/h5-7,16,23-24H,4,8-10H2,1-3H3
InChI Key:
MQOXLIXQAWLBOO-UHFFFAOYSA-N
SMILES:
OCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1cccc(c1Cl)Cl
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.09g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.305g/mol
Monoisotopic Mass:
443.09g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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