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827015-12-3 | 1H-Indole, 2-(2-chlorophenyl)-3-[(4-phenyl-1-piperidinyl)methyl]-
CAS No: 827015-12-3 Catalog No: AG0051SH MDL No:
Product Description
Catalog Number:
AG0051SH
Chemical Name:
1H-Indole, 2-(2-chlorophenyl)-3-[(4-phenyl-1-piperidinyl)methyl]-
CAS Number:
827015-12-3
Molecular Formula:
C26H25ClN2
Molecular Weight:
400.9431
IUPAC Name:
2-(2-chlorophenyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole
InChI:
InChI=1S/C26H25ClN2/c27-24-12-6-4-11-22(24)26-23(21-10-5-7-13-25(21)28-26)18-29-16-14-20(15-17-29)19-8-2-1-3-9-19/h1-13,20,28H,14-18H2
InChI Key:
KZYVAEQFZCSCCS-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1[nH]c2c(c1CN1CCC(CC1)c1ccccc1)cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.171g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.95g/mol
Monoisotopic Mass:
400.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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