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208191-56-4 | 2-AZETIDINONE, 3-[(1R)-1-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ETHYL]-4-[(1R,3E)-2-OXO-3-(4-PYRIDINYLMETHYLENE)CYCLOHEXYL]-, (3S,4R)-
CAS No: 208191-56-4 Catalog No: AG002JK5 MDL No:
Product Description
Catalog Number:
AG002JK5
Chemical Name:
2-AZETIDINONE, 3-[(1R)-1-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ETHYL]-4-[(1R,3E)-2-OXO-3-(4-PYRIDINYLMETHYLENE)CYCLOHEXYL]-, (3S,4R)-
CAS Number:
208191-56-4
Molecular Formula:
C23H34N2O3Si
Molecular Weight:
414.6132
IUPAC Name:
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-2-oxo-3-(pyridin-4-ylmethylidene)cyclohexyl]azetidin-2-one
InChI:
InChI=1S/C23H34N2O3Si/c1-15(28-29(5,6)23(2,3)4)19-20(25-22(19)27)18-9-7-8-17(21(18)26)14-16-10-12-24-13-11-16/h10-15,18-20H,7-9H2,1-6H3,(H,25,27)/t15-,18-,19-,20-/m1/s1
InChI Key:
YTZCQIZYNXHWLO-HUYLIWGRSA-N
SMILES:
C[C@H]([C@H]1C(=O)N[C@@H]1[C@H]1CCC/C(=C\c2ccncc2)/C1=O)O[Si](C(C)(C)C)(C)C
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
414.234g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.621g/mol
Monoisotopic Mass:
414.234g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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