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716376-21-5 | 2-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CAS No: 716376-21-5 Catalog No: AG01C2LR MDL No:MFCD06327300
Product Description
Catalog Number:
AG01C2LR
Chemical Name:
2-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CAS Number:
716376-21-5
Molecular Formula:
C19H20N2O3S2
Molecular Weight:
388.5037
MDL Number:
MFCD06327300
IUPAC Name:
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChI Key:
NKPYARCADGOZKH-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2sn1c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.5g/mol
Monoisotopic Mass:
388.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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