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1160245-42-0 | 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-piperazin-1-ylethanone
CAS No: 1160245-42-0 Catalog No: AG00JDJH MDL No:MFCD12197666
Product Description
Catalog Number:
AG00JDJH
Chemical Name:
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-piperazin-1-ylethanone
CAS Number:
1160245-42-0
Molecular Formula:
C16H26N4O4S
Molecular Weight:
370.4670
MDL Number:
MFCD12197666
IUPAC Name:
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-piperazin-1-ylethanone
InChI:
InChI=1S/C16H26N4O4S/c1-12-16(13(2)24-18-12)25(22,23)20-7-3-14(4-8-20)11-15(21)19-9-5-17-6-10-19/h14,17H,3-11H2,1-2H3
InChI Key:
BWFUCCVTQQXJDE-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)CC1CCN(CC1)S(=O)(=O)c1c(C)noc1C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.468g/mol
Monoisotopic Mass:
370.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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