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824421-75-2 | 1H-Pyrrole, 2,5-dimethyl-1-(1-naphthalenylmethyl)-3-(phenylmethyl)-
CAS No: 824421-75-2 Catalog No: AG004W77 MDL No:
Product Description
Catalog Number:
AG004W77
Chemical Name:
1H-Pyrrole, 2,5-dimethyl-1-(1-naphthalenylmethyl)-3-(phenylmethyl)-
CAS Number:
824421-75-2
Molecular Formula:
C24H23N
Molecular Weight:
325.4461
IUPAC Name:
3-benzyl-2,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrrole
InChI:
InChI=1S/C24H23N/c1-18-15-23(16-20-9-4-3-5-10-20)19(2)25(18)17-22-13-8-12-21-11-6-7-14-24(21)22/h3-15H,16-17H2,1-2H3
InChI Key:
QVBRFJIQCHLVIK-UHFFFAOYSA-N
SMILES:
Cc1cc(c(n1Cc1cccc2c1cccc2)C)Cc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.455g/mol
Monoisotopic Mass:
325.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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