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1261234-11-0 | [1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
CAS No: 1261234-11-0 Catalog No: AG01F3C3 MDL No:
Product Description
Catalog Number:
AG01F3C3
Chemical Name:
[1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
CAS Number:
1261234-11-0
Molecular Formula:
C15H23BrN2O4S2
Molecular Weight:
439.3881
IUPAC Name:
tert-butyl N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C15H23BrN2O4S2/c1-15(2,3)22-14(19)17-10-11-6-8-18(9-7-11)24(20,21)13-5-4-12(16)23-13/h4-5,11H,6-10H2,1-3H3,(H,17,19)
InChI Key:
JOJLSZVVGWKTHR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)S(=O)(=O)c1ccc(s1)Br
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.383g/mol
Monoisotopic Mass:
438.028g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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