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113614-50-9 | Isoxazolidine, 3,5-bis(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-, (3R,5R)-rel-
CAS No: 113614-50-9 Catalog No: AG00095E MDL No:
Product Description
Catalog Number:
AG00095E
Chemical Name:
Isoxazolidine, 3,5-bis(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-, (3R,5R)-rel-
CAS Number:
113614-50-9
Molecular Formula:
C20H19Cl2N3O
Molecular Weight:
388.2904
IUPAC Name:
(3R,5R)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
InChI:
InChI=1S/C20H19Cl2N3O/c1-24-20(13-25-11-10-23-14-25,16-4-8-18(22)9-5-16)12-19(26-24)15-2-6-17(21)7-3-15/h2-11,14,19H,12-13H2,1H3/t19-,20+/m1/s1
InChI Key:
JQNRGBCRWDMIDS-UXHICEINSA-N
SMILES:
Clc1ccc(cc1)[C@@H]1ON([C@@](C1)(Cn1cncc1)c1ccc(cc1)Cl)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
387.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.292g/mol
Monoisotopic Mass:
387.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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