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113614-56-5 | Isoxazolidine, 3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-, cis- (9CI)
CAS No: 113614-56-5 Catalog No: AG00095C MDL No:
Product Description
Catalog Number:
AG00095C
Chemical Name:
Isoxazolidine, 3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-, cis- (9CI)
CAS Number:
113614-56-5
Molecular Formula:
C21H22ClN3O
Molecular Weight:
367.8719
IUPAC Name:
3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
InChI:
InChI=1S/C21H22ClN3O/c1-16-3-5-17(6-4-16)20-13-21(24(2)26-20,14-25-12-11-23-15-25)18-7-9-19(22)10-8-18/h3-12,15,20H,13-14H2,1-2H3
InChI Key:
PVSGWGTXWGYMKX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1ON(C(C1)(Cn1ccnc1)c1ccc(cc1)Cl)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.145g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.877g/mol
Monoisotopic Mass:
367.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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