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275809-12-6 | Urea, N-phenyl-N'-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-
CAS No: 275809-12-6 Catalog No: AG002U4U MDL No:
Product Description
Catalog Number:
AG002U4U
Chemical Name:
Urea, N-phenyl-N'-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-
CAS Number:
275809-12-6
Molecular Formula:
C22H29N3O
Molecular Weight:
351.4852
IUPAC Name:
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-phenylurea
InChI:
InChI=1S/C22H29N3O/c26-22(24-21-10-5-2-6-11-21)23-14-7-15-25-16-12-20(13-17-25)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H2,23,24,26)
InChI Key:
BKQLADJYVXOCJW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NCCCN1CCC(CC1)Cc1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.231g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.494g/mol
Monoisotopic Mass:
351.231g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| CCR3 antagonists: a potential new therapy for the treatment of asthma. Discovery and structure-activity relationships. | Bioorganic & medicinal chemistry letters 20020708 |
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