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114372-38-2 | Isoxazolidine, 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-, cis- (9CI)
CAS No: 114372-38-2 Catalog No: AG000B73 MDL No:
Product Description
Catalog Number:
AG000B73
Chemical Name:
Isoxazolidine, 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-, cis- (9CI)
CAS Number:
114372-38-2
Molecular Formula:
C21H21Cl2N3O2
Molecular Weight:
418.3163
IUPAC Name:
5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
InChI:
InChI=1S/C21H21Cl2N3O2/c1-25-21(14-26-11-10-24-15-26,16-2-4-17(22)5-3-16)12-20(28-25)13-27-19-8-6-18(23)7-9-19/h2-11,15,20H,12-14H2,1H3
InChI Key:
HSQLKJGBDKERBC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCC1ON(C(C1)(Cn1cncc1)c1ccc(cc1)Cl)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.101g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.318g/mol
Monoisotopic Mass:
417.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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