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Home > Indoles and Oxindole > 17403-05-3
17403-05-3 | 1H-Indole, 3-[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]-
CAS No: 17403-05-3 Catalog No: AG001ZEO MDL No:MFCD11840336
Product Description
Catalog Number:
AG001ZEO
Chemical Name:
1H-Indole, 3-[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]-
CAS Number:
17403-05-3
Molecular Formula:
C20H20N2
Molecular Weight:
288.3862
MDL Number:
MFCD11840336
IUPAC Name:
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
InChI:
InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
InChI Key:
TYKXLUMYKFFSJE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC(=CC1)c1c[nH]c2c1cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.394g/mol
Monoisotopic Mass:
288.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 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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