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190965-47-0 | 2-Imidazolidinone, 1-[[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-hydroxy-1-[4-methoxy-2-(phenylmethoxy)phenyl]-6-propoxy-1H-inden-2-yl]carbonyl]-3,4-dimethyl-5-phenyl-, (4S,5R)-
CAS No: 190965-47-0 Catalog No: AG002EXQ MDL No:
Product Description
Catalog Number:
AG002EXQ
Chemical Name:
2-Imidazolidinone, 1-[[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-hydroxy-1-[4-methoxy-2-(phenylmethoxy)phenyl]-6-propoxy-1H-inden-2-yl]carbonyl]-3,4-dimethyl-5-phenyl-, (4S,5R)-
CAS Number:
190965-47-0
Molecular Formula:
C45H44N2O8
Molecular Weight:
740.8395
IUPAC Name:
(4S,5R)-1-[(1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)-5-propoxy-1,2-dihydroindene-2-carbonyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
InChI:
InChI=1S/C45H44N2O8/c1-5-22-52-33-17-19-34-36(24-33)45(50,35-20-18-32(51-4)25-38(35)53-26-29-12-8-6-9-13-29)41(40(34)31-16-21-37-39(23-31)55-27-54-37)43(48)47-42(28(2)46(3)44(47)49)30-14-10-7-11-15-30/h6-21,23-25,28,40-42,50H,5,22,26-27H2,1-4H3/t28-,40-,41-,42-,45-/m0/s1
InChI Key:
JGCVXIDHWRDIRG-OKWGQJELSA-N
SMILES:
CCCOc1ccc2c(c1)[C@](O)([C@@H]([C@H]2c1ccc2c(c1)OCO2)C(=O)N1C(=O)N([C@H]([C@H]1c1ccccc1)C)C)c1ccc(cc1OCc1ccccc1)OC
Properties
Complexity:
1310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
740.31g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
740.853g/mol
Monoisotopic Mass:
740.31g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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