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275810-86-1 | Urea, N-phenyl-N'-[2-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-
CAS No: 275810-86-1 Catalog No: AG002U4T MDL No:
Product Description
Catalog Number:
AG002U4T
Chemical Name:
Urea, N-phenyl-N'-[2-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-
CAS Number:
275810-86-1
Molecular Formula:
C26H29N3O
Molecular Weight:
399.5280
IUPAC Name:
1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-phenylurea
InChI:
InChI=1S/C26H29N3O/c30-26(27-24-12-5-2-6-13-24)28-25-14-8-7-11-23(25)20-29-17-15-22(16-18-29)19-21-9-3-1-4-10-21/h1-14,22H,15-20H2,(H2,27,28,30)
InChI Key:
KVVQZNYWGJXWPG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1CN1CCC(CC1)Cc1ccccc1)Nc1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.231g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.538g/mol
Monoisotopic Mass:
399.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Discovery and structure-activity relationship of N-(ureidoalkyl)-benzyl-piperidines as potent small molecule CC chemokine receptor-3 (CCR3) antagonists. | Journal of medicinal chemistry 20020815 |
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