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121829-01-4 | 3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylurea
CAS No: 121829-01-4 Catalog No: AG00IVVC MDL No:MFCD02082325
Product Description
Catalog Number:
AG00IVVC
Chemical Name:
3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylurea
CAS Number:
121829-01-4
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
MDL Number:
MFCD02082325
IUPAC Name:
1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
InChI:
InChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)15-11-22-17(19-15)20-16(21)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,20,21)
InChI Key:
BAAAYZPVZHPPPJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)c1ccc(cc1)C)Nc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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