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Home > Pyridines > 346725-08-4
346725-08-4 | 3-(4-methylbenzenesulfonyl)-1-[(pyridin-3-yl)methyl]urea
CAS No: 346725-08-4 Catalog No: AG00IX54 MDL No:MFCD01854424
Product Description
Catalog Number:
AG00IX54
Chemical Name:
3-(4-methylbenzenesulfonyl)-1-[(pyridin-3-yl)methyl]urea
CAS Number:
346725-08-4
Molecular Formula:
C14H15N3O3S
Molecular Weight:
305.3522
MDL Number:
MFCD01854424
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethyl)urea
InChI:
InChI=1S/C14H15N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17-14(18)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChI Key:
QMROGBLGCHCUBA-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C)NCc1cccnc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.352g/mol
Monoisotopic Mass:
305.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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