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83763-16-0 | 1-Piperidinecarboxylicacid, 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3-hydroxy-, ethylester, cis- (9CI)
CAS No: 83763-16-0 Catalog No: AG004SPB MDL No:
Product Description
Catalog Number:
AG004SPB
Chemical Name:
1-Piperidinecarboxylicacid, 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3-hydroxy-, ethylester, cis- (9CI)
CAS Number:
83763-16-0
Molecular Formula:
C15H18ClN3O4
Molecular Weight:
339.7741
IUPAC Name:
ethyl (3S,4R)-4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C15H18ClN3O4/c1-2-23-15(22)18-6-5-12(13(20)8-18)19-11-4-3-9(16)7-10(11)17-14(19)21/h3-4,7,12-13,20H,2,5-6,8H2,1H3,(H,17,21)/t12-,13+/m1/s1
InChI Key:
BNSLBTZIWVECNG-OLZOCXBDSA-N
SMILES:
CCOC(=O)N1CC[C@@H]([C@@H](C1)O)n1c(=O)[nH]c2c1ccc(c2)Cl
EC Number:
280-700-2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
339.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.776g/mol
Monoisotopic Mass:
339.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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