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1421283-60-4 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (1R)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl ester, (αS)-
CAS No: 1421283-60-4 Catalog No: AG001HTZ MDL No:
Product Description
Catalog Number:
AG001HTZ
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (1R)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl ester, (αS)-
CAS Number:
1421283-60-4
Molecular Formula:
C24H21Cl2NO4S
Molecular Weight:
490.3988
IUPAC Name:
[(1R)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl] (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
InChI:
InChI=1S/C24H21Cl2NO4S/c1-30-24(29)22(17-7-3-5-9-19(17)26)31-23(28)21(16-6-2-4-8-18(16)25)27-12-10-20-15(14-27)11-13-32-20/h2-9,11,13,21-22H,10,12,14H2,1H3/t21-,22+/m0/s1
InChI Key:
WYMQFSIDOUJQGN-FCHUYYIVSA-N
SMILES:
COC(=O)[C@@H](c1ccccc1Cl)OC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
489.057g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.395g/mol
Monoisotopic Mass:
489.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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