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Home > Pyridines > 497060-27-2
497060-27-2 | 3-[3-(benzyloxy)pyridin-2-yl]-1-(4-methylbenzoyl)thiourea
CAS No: 497060-27-2 Catalog No: AG00IVBJ MDL No:MFCD01567659
Product Description
Catalog Number:
AG00IVBJ
Chemical Name:
3-[3-(benzyloxy)pyridin-2-yl]-1-(4-methylbenzoyl)thiourea
CAS Number:
497060-27-2
Molecular Formula:
C21H19N3O2S
Molecular Weight:
377.4595
MDL Number:
MFCD01567659
IUPAC Name:
4-methyl-N-[(3-phenylmethoxypyridin-2-yl)carbamothioyl]benzamide
InChI:
InChI=1S/C21H19N3O2S/c1-15-9-11-17(12-10-15)20(25)24-21(27)23-19-18(8-5-13-22-19)26-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,22,23,24,25,27)
InChI Key:
QJSXFWZCRJYLGC-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccc(cc1)C)Nc1ncccc1OCc1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.12g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.462g/mol
Monoisotopic Mass:
377.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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