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866154-84-9 | 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperazine
CAS No: 866154-84-9 Catalog No: AG00IV21 MDL No:MFCD05669673
Product Description
Catalog Number:
AG00IV21
Chemical Name:
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperazine
CAS Number:
866154-84-9
Molecular Formula:
C15H19N3O3S
Molecular Weight:
321.3947
MDL Number:
MFCD05669673
IUPAC Name:
3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole
InChI:
InChI=1S/C15H19N3O3S/c1-12-15(13(2)21-16-12)22(19,20)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChI Key:
YXXZFLNEJXWIJM-UHFFFAOYSA-N
SMILES:
Cc1onc(c1S(=O)(=O)N1CCN(CC1)c1ccccc1)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:
6
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:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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