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821008-01-9 | Urea, N'-cyclohexyl-N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-
CAS No: 821008-01-9 Catalog No: AG0051SU MDL No:
Product Description
Catalog Number:
AG0051SU
Chemical Name:
Urea, N'-cyclohexyl-N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-
CAS Number:
821008-01-9
Molecular Formula:
C28H39N3O
Molecular Weight:
433.6288
IUPAC Name:
3-cyclohexyl-1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1-methylurea
InChI:
InChI=1S/C28H39N3O/c1-30(28(32)29-25-15-9-4-10-16-25)26-17-20-31(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,25-27H,4,9-10,15-22H2,1H3,(H,29,32)
InChI Key:
SGPYFZMLSCRVSX-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCN(CC1)CCC(c1ccccc1)c1ccccc1)C)NC1CCCCC1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.309g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.64g/mol
Monoisotopic Mass:
433.309g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. | Bioorganic & medicinal chemistry letters 20050103 |
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