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1017782-89-6 | 3-Piperidinecarboxylic acid, 1-[[(2-bromoethyl)[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
CAS No: 1017782-89-6 Catalog No: AG0005JI MDL No:MFCD09972257
Product Description
Catalog Number:
AG0005JI
Chemical Name:
3-Piperidinecarboxylic acid, 1-[[(2-bromoethyl)[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
CAS Number:
1017782-89-6
Molecular Formula:
C15H27BrN2O6S
Molecular Weight:
443.3537
MDL Number:
MFCD09972257
IUPAC Name:
ethyl 1-[2-bromoethyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]piperidine-3-carboxylate
InChI:
InChI=1S/C15H27BrN2O6S/c1-5-23-13(19)12-7-6-9-17(11-12)25(21,22)18(10-8-16)14(20)24-15(2,3)4/h12H,5-11H2,1-4H3
InChI Key:
FNHJLBDFJKVOOH-UHFFFAOYSA-N
SMILES:
BrCCN(S(=O)(=O)N1CCCC(C1)C(=O)OCC)C(=O)OC(C)(C)C
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.353g/mol
Monoisotopic Mass:
442.077g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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