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401576-44-1 | 3-(4-methylbenzenesulfonyl)-1-[(pyridin-4-yl)methyl]urea
CAS No: 401576-44-1 Catalog No: AG00IT9V MDL No:MFCD02317420
Product Description
Catalog Number:
AG00IT9V
Chemical Name:
3-(4-methylbenzenesulfonyl)-1-[(pyridin-4-yl)methyl]urea
CAS Number:
401576-44-1
Molecular Formula:
C14H15N3O3S
Molecular Weight:
305.3522
MDL Number:
MFCD02317420
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(pyridin-4-ylmethyl)urea
InChI:
InChI=1S/C14H15N3O3S/c1-11-2-4-13(5-3-11)21(19,20)17-14(18)16-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChI Key:
RZQUAJUNSITUEI-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C)NCc1ccncc1
Properties
Complexity:
433
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:
1.4
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