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88323-82-4 | Morpholine, 4-[[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]sulfonyl]-
CAS No: 88323-82-4 Catalog No: AG0048BK MDL No:
Product Description
Catalog Number:
AG0048BK
Chemical Name:
Morpholine, 4-[[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]sulfonyl]-
CAS Number:
88323-82-4
Molecular Formula:
C15H19N3O3S
Molecular Weight:
321.3947
IUPAC Name:
4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylmorpholine
InChI:
InChI=1S/C15H19N3O3S/c1-12-11-13(2)18(16-12)14-3-5-15(6-4-14)22(19,20)17-7-9-21-10-8-17/h3-6,11H,7-10H2,1-2H3
InChI Key:
GEDKWXMNYSWZSI-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1c1ccc(cc1)S(=O)(=O)N1CCOCC1)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.395g/mol
Monoisotopic Mass:
321.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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