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57645-12-2 | 3,4-Dihydro-2,2-dimethyl-7-pentyl-4-[1,2,3,6-tetrahydro-1-(2-naphthalenylmethyl)pyridin-4-yl]-2H-1-benzopyran-5-ol
CAS No: 57645-12-2 Catalog No: AG00EUB0 MDL No:
Product Description
Catalog Number:
AG00EUB0
Chemical Name:
3,4-Dihydro-2,2-dimethyl-7-pentyl-4-[1,2,3,6-tetrahydro-1-(2-naphthalenylmethyl)pyridin-4-yl]-2H-1-benzopyran-5-ol
CAS Number:
57645-12-2
IUPAC Name:
2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-7-pentyl-3,4-dihydrochromen-5-ol
InChI:
InChI=1S/C32H39NO2/c1-4-5-6-9-23-19-29(34)31-28(21-32(2,3)35-30(31)20-23)26-14-16-33(17-15-26)22-24-12-13-25-10-7-8-11-27(25)18-24/h7-8,10-14,18-20,28,34H,4-6,9,15-17,21-22H2,1-3H3
InChI Key:
RIYNPVPJWVVONN-UHFFFAOYSA-N
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.298g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.669g/mol
Monoisotopic Mass:
469.298g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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