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Home > Bromides > 1261234-60-9
1261234-60-9 | [1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-3-ylmethyl]-carbamic acid tert-butyl ester
CAS No: 1261234-60-9 Catalog No: AG01F3C4 MDL No:
Product Description
Catalog Number:
AG01F3C4
Chemical Name:
[1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-3-ylmethyl]-carbamic acid tert-butyl ester
CAS Number:
1261234-60-9
Molecular Formula:
C15H23BrN2O4S2
Molecular Weight:
439.3881
IUPAC Name:
tert-butyl N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C15H23BrN2O4S2/c1-15(2,3)22-14(19)17-9-11-5-4-8-18(10-11)24(20,21)13-7-6-12(16)23-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChI Key:
LPZCJWMXZQLWAY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCN(C1)S(=O)(=O)c1ccc(s1)Br
Properties
Complexity:
545
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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