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205983-78-4 | METHANONE, (4-CHLORO-3-METHOXYPHENYL)[(4S)-5-(4-CHLORO-3-METHOXYPHENYL)-5-HYDROXY-4-(2-PHENYLETHYL)-3-OXAZOLIDINYL]-
CAS No: 205983-78-4 Catalog No: AG002AF4 MDL No:
Product Description
Catalog Number:
AG002AF4
Chemical Name:
METHANONE, (4-CHLORO-3-METHOXYPHENYL)[(4S)-5-(4-CHLORO-3-METHOXYPHENYL)-5-HYDROXY-4-(2-PHENYLETHYL)-3-OXAZOLIDINYL]-
CAS Number:
205983-78-4
Molecular Formula:
C26H25Cl2NO5
Molecular Weight:
502.3864
IUPAC Name:
(4-chloro-3-methoxyphenyl)-[(4S)-5-(4-chloro-3-methoxyphenyl)-5-hydroxy-4-(2-phenylethyl)-1,3-oxazolidin-3-yl]methanone
InChI:
InChI=1S/C26H25Cl2NO5/c1-32-22-14-18(9-11-20(22)27)25(30)29-16-34-26(31,19-10-12-21(28)23(15-19)33-2)24(29)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-15,24,31H,8,13,16H2,1-2H3/t24-,26?/m0/s1
InChI Key:
AJWVPPYZPUFNLO-QSAPEBAKSA-N
SMILES:
COc1cc(ccc1Cl)C(=O)N1COC([C@@H]1CCc1ccccc1)(O)c1ccc(c(c1)OC)Cl
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
501.111g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
502.388g/mol
Monoisotopic Mass:
501.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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