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20461-04-5 | Urea, N-cyclohexyl-N'-(3,4-dichlorophenyl)-
CAS No: 20461-04-5 Catalog No: AG0029M7 MDL No:MFCD00088368
Product Description
Catalog Number:
AG0029M7
Chemical Name:
Urea, N-cyclohexyl-N'-(3,4-dichlorophenyl)-
CAS Number:
20461-04-5
Molecular Formula:
C13H16Cl2N2O
Molecular Weight:
287.1849
MDL Number:
MFCD00088368
IUPAC Name:
1-cyclohexyl-3-(3,4-dichlorophenyl)urea
InChI:
InChI=1S/C13H16Cl2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,18)
InChI Key:
CTQQFHWHCWJZON-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)NC1CCCCC1
NSC Number:
70273
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.184g/mol
Monoisotopic Mass:
286.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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