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Home > Pyridines > 1240526-69-5
1240526-69-5 | 3-[1-(ethanesulfonyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CAS No: 1240526-69-5 Catalog No: AG01A96N MDL No:MFCD16547658
Product Description
Catalog Number:
AG01A96N
Chemical Name:
3-[1-(ethanesulfonyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CAS Number:
1240526-69-5
Molecular Formula:
C14H22N4O3S
Molecular Weight:
326.4145
MDL Number:
MFCD16547658
IUPAC Name:
1-(1-ethylsulfonylpiperidin-4-yl)-3-(pyridin-3-ylmethyl)urea
InChI:
InChI=1S/C14H22N4O3S/c1-2-22(20,21)18-8-5-13(6-9-18)17-14(19)16-11-12-4-3-7-15-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3,(H2,16,17,19)
InChI Key:
KZKROTZXEMDHBW-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CCC(CC1)NC(=O)NCc1cccnc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.415g/mol
Monoisotopic Mass:
326.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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