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359802-85-0 | 2-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole
CAS No: 359802-85-0 Catalog No: AG00IQVB MDL No:MFCD02082921
Product Description
Catalog Number:
AG00IQVB
Chemical Name:
2-[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole
CAS Number:
359802-85-0
Molecular Formula:
C18H18N2O2S2
Molecular Weight:
358.4777
MDL Number:
MFCD02082921
IUPAC Name:
2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H18N2O2S2/c1-13-8-10-14(11-9-13)24(21,22)20-12-4-6-16(20)18-19-15-5-2-3-7-17(15)23-18/h2-3,5,7-11,16H,4,6,12H2,1H3
InChI Key:
VKWBHBOCPAYTBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1nc2c(s1)cccc2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.474g/mol
Monoisotopic Mass:
358.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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