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63668-33-7 | Urea, N-cyclohexyl-N'-(3-pyridinylmethyl)-
CAS No: 63668-33-7 Catalog No: AG00H8VU MDL No:MFCD00088190
Product Description
Catalog Number:
AG00H8VU
Chemical Name:
Urea, N-cyclohexyl-N'-(3-pyridinylmethyl)-
CAS Number:
63668-33-7
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD00088190
IUPAC Name:
1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
InChI:
InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)
InChI Key:
XXSTXXTVGPRZSU-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)NCc1cccnc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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